SCHEMBL2926237

SCHEMBL2926237

O=C(Nc1nc2ccccc2s1)c1cc2nc(Nc3ccccc3C(F)(F)F)[nH]c2cc1N1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PRNP P04156 1/20 0.45
PTGES O14684 1/20 0.43
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR35 Q9HC97 1/20 0.41
USP2 O75604 2/20 0.40
USP8 P40818 2/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
ATR Q13535 1/20 0.40
RAF1 P04049 1/20 0.40
BRAF P15056 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
HCAR1 Q9BXC0 1/20 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
Hydrochloric Acid SCHEMBL3618134 0.99 ALDH1A1 (0.44) ALDH1A1LMNAKDM4EPRNPPTGES
SCHEMBL2931582 0.92 LMNA (0.46) ALDH1A1LMNAKDM4EPRNPPTGES
SCHEMBL2926164 0.84 RAF1 (0.44) ALDH1A1KDM4EIRAK4RAF1BRAF
SCHEMBL2926234 0.82 IRAK4 (0.41) MEN1NPC1RAB9AKMT2AIRAK4
Hydrochloric Acid SCHEMBL2932299 0.82 IRAK4 (0.41) MEN1NPC1RAB9AKMT2AIRAK4
SCHEMBL2924905 0.81 ALDH1A1 (0.46) ALDH1A1LMNAKDM4EPRNPMAPT
SCHEMBL13086187 0.81 TRPV1 (0.45) LMNAPTGESNPC1MAPK1RAB9A
SCHEMBL2930754 0.80 PTGES (0.48) ALDH1A1LMNAKDM4EPTGESMEN1
SCHEMBL2930137 0.80 TOP1 (0.51) LMNAKDM4EPTGESMEN1NPC1
SCHEMBL14452327 0.79 RAF1 (0.40) PTGESIRAK4RAF1BRAFSCN9A

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.