SCHEMBL2932415

SCHEMBL2932415

Cc1nc2c(C(N)=O)[c]ccc2o1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.34
PARP1 P09874 1/20 0.33
POLB P06746 2/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
STAT1 P42224 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
IKBKB O14920 3/20 0.31
LIMK1 P53667 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL18344151 0.77 ELANE (0.40) ELANEPARP1POLBKDM4EALDH1A1
SCHEMBL18344091 0.77 HTR3A (0.39) ELANEKDM4EALDH1A1NPC1RAB9A
SCHEMBL18344204 0.75 HRH3 (0.36) SMN1; SMN2MAPT
SCHEMBL18344236 0.75 HRH3 (0.39) ELANESMN1; SMN2MAPT
SCHEMBL18344155 0.74 HTR6 (0.44) PARP1KDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL3750076 0.74 HCRTR1 (0.31)
SCHEMBL18344103 0.74 HRH3 (0.32)
SCHEMBL18344216 0.74 HRH3 (0.40) ELANEKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL18344061 0.73 HTR3A (0.31)
SCHEMBL18344145 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461159-B2 Heteroaryl-substituted urea modulators of fatty acid amide hydrolase Jannsen Pharmaceutica BV (BE) 2013-06-11 US claimed
WO-2010068453-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-06-17 WO claimed
US-8877769-B2 Heteroaryl-substituted urea modulators of fatty acid amide hydrolase JANSEEN PHARMACEUTICA NV (BG) 2014-11-04 US disclosed
US-20130245022-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (US) 2013-09-19 US disclosed
US-8461159-B2 Heteroaryl-substituted urea modulators of fatty acid amide hydrolase Jannsen Pharmaceutica BV (BE) 2013-06-11 US disclosed
US-8377983-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2013-02-19 US disclosed
US-7820821-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors TRANSTECH PHARMA, INC. (US) 2010-06-17 US disclosed
US-20080255169-A1 4'-Fluoro-biphenyl-3-sulfonic acid benzo[1,3]dioxol-5-ylamide, for example; for use as an alpha 2 beta 1 integrin I domain inhibitor; use as a medicament for treating thrombosis and cancer spread BIOTIE THERAPIES CORPORATION (FI) 2008-10-16 US disclosed
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 US disclosed
EP-1732884-A1 SULPHONAMIDE DERIVATIVES Biotie Therapies Corp. (FI) 2006-12-20 EP disclosed
WO-2005090298-A1 SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2005-09-29 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-20080255169-A1 4'-Fluoro-biphenyl-3-sulfonic acid benzo[1,3]dioxol-5-ylamide, for example; for use as an alpha 2 beta 1 integrin I domain inhibitor; use as a medicament for treating thrombosis and cancer spread NR1I2, ITGA2, ITGB2 ELANE 3985/4885PARP1 2190/4885POLB 3627/4885
US-20130245022-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, GPR119 ELANE 944/4885PARP1 1766/4885POLB 1725/4885
US-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors AURKC, AURKA, AURKB ELANE 3606/4885PARP1 687/4885POLB 1990/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB ELANE 3606/4885PARP1 687/4885POLB 1990/4885

“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.