SCHEMBL10104262

SCHEMBL10104262

Cc1cc(N(C)CCN(C)C)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.45
NOS2 P35228 2/20 0.45
TACR1 P25103 3/20 0.35
ABL1 P00519 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.34
BRAF P15056 5/20 0.34
TP53 P04637 2/20 0.32
NPC1 O15118 1/20 0.32
ABCB11 O95342 1/20 0.32
CYP1A2 P05177 1/20 0.32
CHRM2 P08172 1/20 0.32
ABCB1 P08183 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
TSHR P16473 1/20 0.32
DRD1 P21728 1/20 0.32
TBXA2R P21731 1/20 0.32

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
SCHEMBL10104293 0.90 NOS1 (0.44) NOS1NOS2TACR1RAPGEF4TP53
SCHEMBL10104304 0.85 NOS1 (0.44) NOS1NOS2TACR1RAPGEF4MEN1
SCHEMBL10104261 0.82 NOS1 (0.43) NOS1NOS2TACR1RAPGEF4BRAF
SCHEMBL2201726 0.81 NOS1 (0.39) NOS1NOS2TACR1ABL1BRAF
SCHEMBL19006935 0.81 NOS1 (0.41) NOS1NOS2CYP1A2CYP2D6TSHR
SCHEMBL24781287 0.80 NOS1 (0.41) NOS1NOS2TACR1
SCHEMBL13130561 0.79 TACR1 (0.39) NOS1NOS2TACR1BRAFSLC6A4
SCHEMBL10104385 0.78 CYP2D6 (0.33) NOS1NOS2CYP2D6OPRM1DRD3
SCHEMBL14228532 0.77 RAPGEF4 (0.40) NOS1NOS2TACR1RAPGEF4TSHR
SCHEMBL10104324 0.77 NOS1 (0.40) NOS1NOS2BRAFSLC6A4SLC6A3

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021133896-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-07-01 WO disclosed
WO-2020081572-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-23 WO disclosed
US-8889665-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-8778929-B2 Substituted heteroaryl inhibitors of B-RAF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-15 US disclosed
US-8653087-B2 Pyrido [5, 4-D] pyrimidines as cell proliferation inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 US disclosed
US-20110312939-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110183952-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-28 US disclosed
US-7977338-B2 Phenylacetamides being FLT3 inhibitors NOVARTIS AG (CH) 2011-07-12 US disclosed
US-7977338-B2 Phenylacetamides being FLT3 inhibitors NOVARTIS AG (CH) 2011-07-12 US disclosed
US-20100075980-A1 Phenylacetamides being FLT3 Inhibitors NOVARTIS AG (CH) 2010-03-25 US disclosed
US-20100075980-A1 Phenylacetamides being FLT3 Inhibitors NOVARTIS AG (CH) 2010-03-25 US disclosed
WO-2008046802-A1 PHENYLACETAMIDES USEFUL AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2008-04-24 WO 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 (4 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-20110183952-A1 NEW CHEMICAL COMPOUNDS MKI67, CCNA1, CCNT1 NOS1 127/4885NOS2 392/4885TACR1 370/4885
US-20110312939-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 NOS1 676/4885NOS2 1534/4885TACR1 1434/4885
US-20100075980-A1 Phenylacetamides being FLT3 Inhibitors FLT3, JAK2, ABL1 NOS1 1875/4885NOS2 1393/4885TACR1 3360/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 NOS1 2364/4885NOS2 3523/4885TACR1 2289/4885

“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.