SCHEMBL10020217

SCHEMBL10020217

Clc1nccc(C#Cc2ccccc2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.64
FFAR1 O14842 1/20 0.58
GRM5 P41594 9/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
PKM P14618 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
CYP2C19 P33261 1/20 0.49
THPO P40225 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL3720238 0.82 FFAR1 (0.56) GRM4FFAR1RAB9ASMN1; SMN2CYP1A2
SCHEMBL10020221 0.82 FFAR1 (0.56) GRM4FFAR1GRM5NPC1RAB9A
SCHEMBL708798 0.82 FFAR1 (0.56) GRM4FFAR1GRM5KCNH2
SCHEMBL28026976 0.80 GRM4 (0.50) GRM4FFAR1GRM5
SCHEMBL10338425 0.78 GRM4 (1.00) GRM4GRM5NPC1RAB9ASMN1; SMN2
SCHEMBL13138542 0.75 FFAR1 (0.44) GRM4FFAR1GRM5
SCHEMBL20576439 0.74 GRM5 (0.44) GRM4FFAR1GRM5NPC1RAB9A
SCHEMBL13388985 0.74 FFAR1 (0.57) FFAR1GRM5KDM4EALDH1A1
SCHEMBL102806 0.74 GRM5 (0.56) GRM4FFAR1GRM5RAB9ASMN1; SMN2
SCHEMBL29089197 0.73 GRM5 (0.61) GRM4GRM5NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2072165-A None JP disclosed
US-12637453-B2 Pyrazolopyridine inhibitors of c-Jun-n-Terminal kinases and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2026-05-26 US disclosed
US-20220073512-A1 PYRAZOLOPYRIDINE INHIBITORS OF C-JUN-N-TERMINAL KINASES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-03-10 US disclosed
EP-3893879-A1 PYRAZOLOPYRIDINE INHIBITORS OF C-JUN-N-TERMINAL KINASES AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2021-10-20 EP disclosed
CN-113164477-A Pyrazolopyridine inhibitors of C-JUN-N-terminal kinase and uses thereof 达纳-法伯癌症研究所股份有限公司 2021-07-23 CN disclosed
WO-2020123925-A1 PYRAZOLOPYRIDINE INHIBITORS OF C-JUN-N-TERMINAL KINASES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-18 WO disclosed
WO-2020123925-A1 PYRAZOLOPYRIDINE INHIBITORS OF C-JUN-N-TERMINAL KINASES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-18 WO disclosed
US-8242273-B2 Synthesis of 4/5-pyrimidinylimidazoles via sequential functionalization of 2,4-dichloropyrimidine JANSSEN PHARMACEUTICA, NV (BE) 2012-08-14 US disclosed
US-8124765-B2 Synthesis of 4/5-pyrimidinylimidazoles via sequential functionalization of 2,4-dichloropyrimidine JANSSEN PHARMACEUTICA, NV (BE) 2012-02-28 US disclosed
US-20100274015-A1 SYNTHESIS OF 4/5-PYRIMIDINYLIMIDAZOLES VIA SEQUENTIAL FUNCTIONALIZATION OF 2,4-DICHLOROPYRIMIDINE DENG XIAOHU 2010-10-28 US disclosed
US-20100274016-A1 SYNTHESIS OF 4/5-PYRIMIDINYLIMIDAZOLES VIA SEQUENTIAL FUNCTIONALIZATION OF 2,4-DICHLOROPYRIMIDINE DENG XIAOHU 2010-10-28 US disclosed
US-7807832-B2 Synthesis of 4/5-pyrimidinylimidazoles via sequential functionalization of 2,4-dichloropyrimidine JANSSEN PHARMACEUTICA NV (BE) 2010-10-05 US disclosed
US-20070027319-A1 Synthesis of 4/5-pyrimidinylimidazoles via sequential functionalization of 2,4-dichloropyrimidine JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-01 US disclosed
JP-H0272165-A 4-STYRYLPYRIMIDINE DERIVATIVE AND PLANT GROWTH PROMOTER CONTAINING SAID DERIVATIVE AS ACTIVE INGREDIENT KUMAZAWA ZENZABURO 1990-03-12 JP 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 (5 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-20220073512-A1 PYRAZOLOPYRIDINE INHIBITORS OF C-JUN-N-TERMINAL KINASES AND USES THEREOF MAP3K3, MAP2K3, MAP3K2 GRM4 4646/4885FFAR1 3406/4885GRM5 4009/4885
US-20070027319-A1 Synthesis of 4/5-pyrimidinylimidazoles via sequential functionalization of 2,4-dichloropyrimidine DCK, DPYD, DTYMK GRM4 1603/4885FFAR1 4476/4885GRM5 1840/4885
US-20100274016-A1 SYNTHESIS OF 4/5-PYRIMIDINYLIMIDAZOLES VIA SEQUENTIAL FUNCTIONALIZATION OF 2,4-DICHLOROPYRIMIDINE DCK, DPYD, DTYMK GRM4 1603/4885FFAR1 4476/4885GRM5 1840/4885
US-20100274015-A1 SYNTHESIS OF 4/5-PYRIMIDINYLIMIDAZOLES VIA SEQUENTIAL FUNCTIONALIZATION OF 2,4-DICHLOROPYRIMIDINE DCK, DPYD, DTYMK GRM4 1603/4885FFAR1 4476/4885GRM5 1840/4885
US-12637453-B2 Pyrazolopyridine inhibitors of c-Jun-n-Terminal kinases and uses thereof MAP3K1, MAP3K3, MAPK1 GRM4 4038/4885FFAR1 1953/4885GRM5 3896/4885

“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.