SCHEMBL91441

SCHEMBL91441

CCc1ccc2[nH]nc(C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
MAP2K4 P45985 1/20 0.43
HTR1A P08908 2/20 0.41
HTR1D P28221 2/20 0.41
HTR1B P28222 2/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPK10 P53779 1/20 0.40
RIPK1 Q13546 1/20 0.40
KIF11 P52732 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12881950 0.86 NTRK1 (0.41) NTRK1ADORA2AADORA2BMAP2K4HTR1A
SCHEMBL8348438 0.85 KIF11 (0.47) ADORA2AADORA2BMAP2K4ALDH1A1SMN1; SMN2
SCHEMBL7213936 0.84 GAA (0.43) NTRK1ADORA2AADORA2BMAP2K4CYP1A2
SCHEMBL29585213 0.84 GAA (0.43) NTRK1ADORA2AADORA2BMAP2K4CYP1A2
SCHEMBL1696402 0.81 JAK2 (0.55) NTRK1HTR1AHTR1DHTR1BALDH1A1
SCHEMBL7978106 0.81 HTR1D (0.41) NTRK1MAP2K4HTR1AHTR1DHTR1B
SCHEMBL12867031 0.81 NTRK1 (0.40) NTRK1ADORA2AADORA2BMAP2K4CYP1A2
SCHEMBL18072218 0.80 HTR1D (0.41) NTRK1MAP2K4HTR1AHTR1DHTR1B
SCHEMBL1696762 0.80 FGFR1 (0.43) MAP2K4HTR1AHTR1DHTR1BALDH1A1
SCHEMBL8239834 0.78 HTR1A (0.43) NTRK1ADORA2AADORA2BMAP2K4HTR1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357269-A1 NEW MACROCYCLIC LRRK2 KINASE INHIBITORS ONCODESIGN PRECISION MEDICINE (FR) 2023-11-09 US disclosed
EP-4233859-A1 INHIBITORS OF KINASE NETWORKS AND USES THEREOF Purdue Research Foundation (US) 2023-08-30 EP disclosed
EP-3600287-B1 INHIBITORS OF KINASE NETWORKS AND USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2023-07-05 EP disclosed
US-20210038606-A1 Modulators of Rho-associated Protein Kinase REDX PHARMA LIMITED (GB) 2021-02-11 US disclosed
US-20160002188-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2016-01-07 US disclosed
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
US-20130072485-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-03-21 US disclosed
US-8394818-B2 Soluble mTOR complexes and modulators thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-03-12 US disclosed
WO-2012151525-A9 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2012-12-13 WO disclosed
WO-2012151525-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2012-11-08 WO disclosed
US-7655657-B2 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES (US) 2010-02-02 US disclosed
US-20100016316-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-21 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
US-20090275592-A1 Heterocyclic modulators of PKB AMGEN INC. (US) 2009-11-05 US disclosed
US-20090270445-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2009-10-29 US disclosed
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-20080064703-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBVIE INC. 2008-03-13 US disclosed
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use AMGEN INC. 2007-08-09 US disclosed
US-20070060588-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES 2007-03-15 US disclosed
US-20070054903-A1 Bis-aryl kinase inhibitors and method AMGEN INC. (US) 2007-03-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use BRAF, NRAS, RAF1 NTRK1 184/4885ADORA2A 307/4885ADORA2B 350/4885
US-20070060588-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 NTRK1 2104/4885ADORA2A 51/4885ADORA2B 97/4885
US-20100016316-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS F12, TFPI, F11 NTRK1 2268/4885ADORA2A 1843/4885ADORA2B 527/4885
US-20130072485-A1 SOLUBLE MTOR COMPLEXES AND MODULATORS THEREOF MTOR, RICTOR, RPTOR NTRK1 461/4885ADORA2A 4192/4885ADORA2B 4727/4885
US-20090275592-A1 Heterocyclic modulators of PKB MTOR, PDK1, EIF4EBP1 NTRK1 4672/4885ADORA2A 1437/4885ADORA2B 1990/4885
US-20080064703-A1 Fused bicycloheterocycle substituted quinuclidine derivatives IDO1, IDO2, HTR3C NTRK1 1240/4885ADORA2A 132/4885ADORA2B 365/4885
US-20210038606-A1 Modulators of Rho-associated Protein Kinase ROCK2, ROCK1, RHOA NTRK1 3778/4885ADORA2A 2258/4885ADORA2B 3452/4885
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS TFPI, F12, F11 NTRK1 1911/4885ADORA2A 3545/4885ADORA2B 2326/4885
US-20090270445-A1 Thiazole compounds and methods of use MTOR, JAK2, TK2 NTRK1 3186/4885ADORA2A 3640/4885ADORA2B 2789/4885
US-20160002188-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD NTRK1 4834/4885ADORA2A 1720/4885ADORA2B 1911/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS NTRK1 273/4885ADORA2A 3395/4885ADORA2B 4433/4885
US-20230357269-A1 NEW MACROCYCLIC LRRK2 KINASE INHIBITORS LRRK2, RIN1, GRK3 NTRK1 1922/4885ADORA2A 1635/4885ADORA2B 1822/4885
US-20070054903-A1 Bis-aryl kinase inhibitors and method HGF, MET, BLK NTRK1 341/4885ADORA2A 2767/4885ADORA2B 2849/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.