SCHEMBL5377932

SCHEMBL5377932

Nc1cccc(Oc2ccnc(Cl)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.49
MAP4K4 O95819 3/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
HSP90AA1 P07900 1/20 0.44
CYP3A4 P08684 3/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
BRCA1 P38398 1/20 0.41
HBB P68871 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
F10 P00742 2/20 0.40
F2 P00734 1/20 0.40
SCN5A Q14524 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
SCHEMBL29492481 0.81 MAOB (0.67) MAOBMAP4K4MAPTPOLBHSP90AA1
SCHEMBL202664 0.81 MAOB (0.67) MAOBMAP4K4MAPTPOLBHSP90AA1
SCHEMBL31696915 0.81 MAOB (0.67) MAOBMAP4K4MAPTPOLBHSP90AA1
SCHEMBL17609059 0.81 MAP4K4 (0.50) MAP4K4MAPTALDH1A1KDM4ECYP1A2
SCHEMBL3277080 0.81 RAB9A (0.45) MAP4K4MAPTCYP3A4CYP1A2CYP2C9
SCHEMBL19089468 0.81 ALDH1A1 (0.51) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL4935483 0.80 MEN1 (0.48) MAOBMAPTPOLBCYP3A4ALDH1A1
SCHEMBL190518 0.79 PLAAT3 (0.48) MAP4K4ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL16654773 0.77 KDM4E (0.39) MAP4K4POLBCYP3A4ALDH1A1MEN1
SCHEMBL8723629 0.77 MAPT (0.52) MAPTPOLBALDH1A1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210309642-A1 Process for Manufacture of (S)-N-(3-((2-((4-((1-acetylpyrrolidin-3-yl)(methyl)amino)phenyl)amino)-5-methoxypyrimidin-4-yl)oxy)phenyl)acrylamide, and Formulations Thereof ACEA Therapeutics, Inc. (US) 2021-10-07 US disclosed
WO-2007076473-A2 SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 WO disclosed
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 US disclosed
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 US disclosed
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 US disclosed
US-20070155746-A1 NOVEL SUBSTITUTED PYRIDINYLOXY AND PYRIMIDINYLOXY AMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 US disclosed
US-20070155746-A1 NOVEL SUBSTITUTED PYRIDINYLOXY AND PYRIMIDINYLOXY AMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 US disclosed
US-20070155746-A1 NOVEL SUBSTITUTED PYRIDINYLOXY AND PYRIMIDINYLOXY AMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 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 (3 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-20070155746-A1 NOVEL SUBSTITUTED PYRIDINYLOXY AND PYRIMIDINYLOXY AMIDES USEFUL AS INHIBITORS OF PROTEIN KINASES BRAF, ARAF, RAF1 MAOB 802/4885MAP4K4 58/4885MAPT 3474/4885
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES BRAF, ARAF, RAF1 MAOB 1480/4885MAP4K4 69/4885MAPT 2911/4885
US-20210309642-A1 Process for Manufacture of (S)-N-(3-((2-((4-((1-acetylpyrrolidin-3-yl)(methyl)amino)phenyl)amino)-5-methoxypyrimidin-4-yl)oxy)phenyl)acrylamide, and Formulations Thereof BMX, ITK, BLK MAOB 3041/4885MAP4K4 275/4885MAPT 2914/4885

“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.