SCHEMBL319097

SCHEMBL319097

Nc1cnc(-c2ccccc2)nc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
HPGD P15428 2/20 0.48
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 1/20 0.47
HPGDS O60760 1/20 0.44
LMNA P02545 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAP2K3 P46734 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
LDHA P00338 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL27729738 0.84 MAP4K4 (0.50) MEN1KMT2AHPGDMAPTNPC1
SCHEMBL5776793 0.83 ALDH1A1 (0.52) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL27846466 0.81 MEN1 (0.49) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL29774207 0.81 MEN1 (0.60) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL319435 0.80 ATR (0.45) HPGDALDH1A1MAPTNPC1RAB9A
SCHEMBL31437277 0.79 ALDH1A1 (0.68) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL26674698 0.79 ALDH1A1 (0.68) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL13983030 0.79 ATM (0.54) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL5778824 0.79 MEN1 (0.48) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL11908075 0.78 TP53 (0.50) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101346356-A Aminopyrimidine derivatives inhibiting protein kinase activity, method for the preparation thereof and pharmaceutical composition containing same CRYSTALGENOMICS INC (KR) 2009-01-14 CN claimed
CN-101679266-B PIM kinase inhibitors and methods of their use NOVARTIS AG 2015-05-06 CN disclosed
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 US disclosed
US-20140228363-A1 TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS NOVARTIS AG (CH) 2014-08-14 US disclosed
EP-2681197-A1 TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2014-01-08 EP disclosed
CN-103429572-A Tetra-substituted cyclohexyl compounds as kinase inhibitors NOVARTIS AG 2013-12-04 CN disclosed
EP-2132177-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-07-17 EP disclosed
CN-101679266-A PIM kinase inhibitors and methods of their use NOVARTIS AG 2010-03-24 CN disclosed
EP-2132177-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-12-16 EP disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 WO disclosed
CN-1280289-C Alkoxy carbonylamino heteroaryl carboxylic acid derivatives as IP antagonists HOFFMANN LA ROCHE (CH) 2006-10-18 CN disclosed
EP-1368345-B1 ALKOXYCARBONYLAMINO HETEROARYL CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS HOFFMANN LA ROCHE (CH) 2006-03-22 EP disclosed
CN-1494544-A Alkoxy carbonylamino heteroaryl carboxylic acid derivatives as IP antagonists - 2004-05-05 CN disclosed
EP-1368345-A1 ALKOXYCARBONYLAMINO HETEROARYL CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-12-10 EP disclosed
US-6569860-B2 Alkoxycarbonylamino-heteroaryl carboxylic acid derivatives useful for treating the disorders of the urinary tract, pain, inflammation, respiratory states, edema formation, hypotensive vascular diseases, pain and allergies ROćHE PALO ALTO LLC 2003-05-27 US disclosed
US-20020169171-A1 Alkoxycarbonylamino heteroaryl carboxylic acid derivatives as IP antagonists SYNTEX (USA) LLC 2002-11-14 US disclosed
WO-2002070514-A1 ALKOXYCARBONYLAMINO HETEROARYL CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-12 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 (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-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 MEN1 3897/4885KMT2A 981/4885HPGD 3004/4885
US-20020169171-A1 Alkoxycarbonylamino heteroaryl carboxylic acid derivatives as IP antagonists GPBAR1, GCGR, CNR1 MEN1 2920/4885KMT2A 4378/4885HPGD 1260/4885
US-20140228363-A1 TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS PIM1, PIM2, PIM3 MEN1 3598/4885KMT2A 2022/4885HPGD 3825/4885

“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.