SCHEMBL3081572

SCHEMBL3081572

Nc1ccc(-n2cccnc2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 3/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.36
APAF1 O14727 1/20 0.36
ALOX15 P16050 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
AURKA O14965 1/20 0.35
DHFR P00374 1/20 0.35
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL10059447 0.82 ATM (0.42) MAPTLMNAKMT2ARAB9ASMN1; SMN2
SCHEMBL29349038 0.81 KAT2B (0.43) MAPTLMNAKMT2ARAB9ASMN1; SMN2
SCHEMBL3078101 0.76 KAT2B (0.48) MAPTKMT2ARAB9ASMN1; SMN2MEN1
SCHEMBL8285971 0.74 ELANE (0.46) ALDH1A1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL14437855 0.74 CYP51A1 (0.48) CYP2C9PTGS2
SCHEMBL76912 0.72 SMN1; SMN2 (0.52) MKNK1MKNK2RAB9ASMN1; SMN2ALOX15
SCHEMBL27508474 0.71 KDM4E (0.31) MAPTLMNAKMT2ARAB9AAPAF1
SCHEMBL18011100 0.70 RAB9A (0.46) MAPTLMNAKMT2ARAB9ASMN1; SMN2
SCHEMBL3480507 0.69 GCK (0.36) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL5387033 0.68 MKNK1 (0.46) MKNK1MKNK2MAPTLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110229150-B Imidazo [4,5-c ] pyridine derivatives and application thereof 沈阳药科大学 2022-03-01 CN disclosed
US-20100234352-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-20100234352-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-20100234352-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-7696352-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-04-13 US disclosed
EP-2114928-A2 THIOPHENE CARBOXAMIDES AS FACTOR XA INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2009-11-11 EP disclosed
WO-2008086188-A2 THIOPHENE CARBOXAMIDES AS FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 WO disclosed
US-20070185092-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 US disclosed
US-20070185092-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 US disclosed
US-20070185092-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 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 (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-20070185092-A1 FACTOR Xa INHIBITORS TFPI, F12, F11 MKNK1 3723/4885MKNK2 3508/4885MAPT 4564/4885
US-20100234352-A1 FACTOR XA INHIBITORS TFPI, F12, F11 MKNK1 3723/4885MKNK2 3508/4885MAPT 4564/4885

“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.