SCHEMBL2924905

SCHEMBL2924905

Cc1cccnc1Nc1nc2cc(C(=O)Nc3nc4ccccc4s3)c(N3CCNCC3)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.46
KDM4E B2RXH2 3/20 0.46
PRNP P04156 1/20 0.46
HCAR2 Q8TDS4 1/20 0.42
HCAR1 Q9BXC0 1/20 0.42
ATR Q13535 1/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 4/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
GPR35 Q9HC97 1/20 0.41
TRPV4 Q9HBA0 1/20 0.40
SPR P35270 1/20 0.40
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.38
PAX8 Q06710 1/20 0.38

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
SCHEMBL2930571 0.83 OPRL1 (0.38) LMNAKDM4ENPC1RAB9AMAPT
SCHEMBL2924896 0.82 MAT2A (0.38) ALDH1A1LMNAKDM4ENPC1RAB9A
SCHEMBL2926237 0.81 ALDH1A1 (0.45) ALDH1A1LMNAKDM4EPRNPHCAR2
Hydrochloric Acid SCHEMBL3618134 0.81 ALDH1A1 (0.44) ALDH1A1LMNAKDM4EPRNPHCAR2
SCHEMBL13086192 0.80 TRPV1 (0.51) ALDH1A1LMNAKDM4EATRNPC1
SCHEMBL2931752 0.77 LMNA (0.39) ALDH1A1LMNANPC1RAB9AMAPT
SCHEMBL2927584 0.76 ALDH1A1 (0.44) ALDH1A1LMNAKDM4EPRNPHCAR2
SCHEMBL2929641 0.75 KCNH2 (0.41) LMNANPC1RAB9AMAPTKMT2A
SCHEMBL2931582 0.75 LMNA (0.46) ALDH1A1LMNAKDM4EPRNPHCAR2
SCHEMBL2930795 0.74 PIK3CA (0.43) ALDH1A1LMNAKDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1987028-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS Transtech Pharma, Inc. (US) 2008-11-05 EP disclosed
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 US disclosed
WO-2007095124-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2007-08-23 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 (2 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-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors AURKC, AURKA, AURKB ALDH1A1 3036/4885LMNA 1520/4885KDM4E 769/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB ALDH1A1 3036/4885LMNA 1520/4885KDM4E 769/4885

“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.