SCHEMBL958531

SCHEMBL958531

Nc1cc(COCc2ccccc2)n[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 1/20 0.38
IDO1 P14902 1/20 0.38
MPO P05164 2/20 0.38
AGXT P21549 1/20 0.37
TPO P07202 1/20 0.37
CYP3A4 P08684 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
IKBKE Q14164 1/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
MAOB P27338 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL956156 0.79 CDC7 (0.43) TSHRRAB9ASMN1; SMN2L3MBTL1MPO
SCHEMBL3941256 0.78 KCNH2 (0.50) RAB9ASMN1; SMN2L3MBTL1NPC1IKBKE
SCHEMBL28141352 0.78 TSHR (0.47) TSHRRAB9ASMN1; SMN2L3MBTL1NPC1
SCHEMBL64650 0.77 BACE1 (0.49) RAB9ASMN1; SMN2MPOMAOBMAPT
SCHEMBL9842140 0.75 TSHR (0.44) TSHRRAB9ASMN1; SMN2L3MBTL1NPC1
SCHEMBL3927189 0.75 MAOB (0.50) RAB9ASMN1; SMN2L3MBTL1IKBKEMAOB
SCHEMBL3937691 0.75 NUDT1 (0.47) RAB9ASMN1; SMN2L3MBTL1IDO1MPO
SCHEMBL27819434 0.74 TSHR (0.43) TSHRRAB9ASMN1; SMN2L3MBTL1NPC1
SCHEMBL3939419 0.74 CYP4F2 (0.54) RAB9ASMN1; SMN2L3MBTL1MPOMAOB
SCHEMBL23854651 0.73 TSHR (0.50) TSHRIDO1MPOAGXTTPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117659001-A Aminopyrimidine derivatives and their use in medicine 广东东阳光药业股份有限公司 2024-03-08 CN disclosed
CN-107743489-B 7- (morpholin-4-yl) pyrazolo [1,5-a ] pyrimidine derivatives for the treatment of immune, inflammatory or cancer 赛隆制药股份公司 2021-05-04 CN disclosed
EP-3277687-B1 7-(MORPHOLIN-4-YL)PYRAZOLE[1,5-A]PYRIMIDINE DERIVATIVES WHICH ARE USEFUL FOR THE TREATMENT OF IMMUNE OR INFLAMMATORY DISEASES OR CANCER Celon Pharma Sa (PL) 2019-10-30 EP disclosed
US-10138247-B2 7-(morpholin-4-yl)pyrazole[1,5-A]pyrimidine derivatives as PI3 kinase inhibitors CELON PHARMA, S.A. (PL) 2018-11-27 US disclosed
US-20180111939-A1 7-(MORPHOLIN-4-YL)PYRAZOLE[1,5-A]PYRIMIDINE DERIVATIVES WHICH ARE USEFUL FOR THE TREATMENT OF IMMUNE OR INFALMMATORY DISEASES OR CANCER CELON PHARMA S.A. (PL) 2018-04-26 US disclosed
EP-3277687-A1 7-(MORPHOLIN-4-YL)PYRAZOLE[1,5-A]PYRIMIDINE DERIVATIVES WHICH ARE USEFUL FOR THE TREATMENT OF IMMUNE OR INFLAMMATORY DISEASES OR CANCER CELON PHARMA S.A. (PL) 2018-02-07 EP disclosed
WO-2016157091-A1 7-(MORPHOLIN-4-YL)PYRAZOLE[1,5-A]PYRIMIDINE DERIVATIVES WHICH ARE USEFUL FOR THE TREATMENT OF IMMUNE OR INFLAMMATORY DISEASES OR CANCER CELON PHARMA S.A. (PL) 2016-10-06 WO disclosed
US-8394795-B2 Pyrazole [3, 4-B] pyridine Raf inhibitors ARRAY BIOPHARMA INC. (US) 2013-03-12 US disclosed
EP-2265610-B1 PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC (US) 2012-12-12 EP disclosed
CN-102149712-A Pyrazolo [3,4-b ] pyridine Raf inhibitors ARRAY BIOPHARMA INC 2011-08-10 CN disclosed
US-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-04-21 US disclosed
US-20110009429-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 NOVARTIS AG (CH) 2011-01-13 US disclosed
EP-2265610-A1 PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
EP-2257552-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 Novartis AG (CH) 2010-12-08 EP disclosed
WO-2009111279-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-09-11 WO disclosed
WO-2009106539-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 NOVARTIS AG (CH) 2009-09-03 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 (4 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-10138247-B2 7-(morpholin-4-yl)pyrazole[1,5-A]pyrimidine derivatives as PI3 kinase inhibitors PIK3CA, PIK3C2A, MAP3K2 TSHR 1937/4885RAB9A 1716/4885SMN1; SMN2 3765/4885
US-20180111939-A1 7-(MORPHOLIN-4-YL)PYRAZOLE[1,5-A]PYRIMIDINE DERIVATIVES WHICH ARE USEFUL FOR THE TREATMENT OF IMMUNE OR INFALMMATORY DISEASES OR CANCER AFF2, INF2, AFF1 TSHR 1324/4885RAB9A 2406/4885SMN1; SMN2 3525/4885
US-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS BRAF, RAF1, ARAF TSHR 2257/4885RAB9A 947/4885SMN1; SMN2 2996/4885
US-20110009429-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 CXCR2, CXCR1, CXCR3 TSHR 1428/4885RAB9A 1699/4885SMN1; SMN2 4738/4885

“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.