SCHEMBL16700558

SCHEMBL16700558

Fc1ccc(-c2cc3n(n2)CCNC3)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.52
CD274 Q9NZQ7 1/20 0.52
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
HTR7 P34969 3/20 0.39
HTR1A P08908 2/20 0.39
CDC7 O00311 1/20 0.38
PLAT P00750 1/20 0.38
HTR2B P41595 2/20 0.38
HTR6 P50406 1/20 0.38
WNT1 P04628 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 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
SCHEMBL26645648 0.84 PDCD1 (0.49) PDCD1CD274CDC7HTR2BHTR2A
SCHEMBL16699354 0.84 PDCD1 (0.58) PDCD1CD274HTR7HTR1AHTR2B
SCHEMBL17112813 0.83 CDC7 (0.56) PDCD1CD274MKNK1MKNK2CDC7
SCHEMBL26645258 0.82 PDCD1 (0.47) PDCD1CD274HTR2BHTR2AHTR2C
Hydrochloric Acid SCHEMBL26645235 0.82 CDC7 (0.55) PDCD1CD274MKNK1MKNK2CDC7
SCHEMBL18198216 0.81 GRM5 (0.50) PDCD1CD274
SCHEMBL26645449 0.81 PDCD1 (0.52) PDCD1CD274HTR7HTR1AHTR2B
SCHEMBL24276975 0.79 PDCD1 (0.53) PDCD1CD274CDC7
SCHEMBL30623111 0.79 PDCD1 (0.47) PDCD1CD274HTR2AHTR2C
SCHEMBL26645109 0.79 PDCD1 (0.47) PDCD1CD274HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250276972-A1 COMPOUNDS AS CASEIN KINASE INHIBITORS GRITSCIENCE BIOPHARMACEUTICALS CO LTD (CN) 2025-09-04 US disclosed
CN-116744926-A Compounds as inhibitors of casein kinase 北京原基华毅生物科技有限公司 2023-09-12 CN disclosed
WO-2022127756-A1 COMPOUNDS AS CASEIN KINASE INHIBITORS Gritscience Biopharmaceuticals Co., Ltd. (CN) 2022-06-23 WO disclosed
WO-2022127756-A1 COMPOUNDS AS CASEIN KINASE INHIBITORS Gritscience Biopharmaceuticals Co., Ltd. (CN) 2022-06-23 WO disclosed
EP-3068785-B1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-06-26 EP disclosed
EP-3068785-B1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-06-26 EP disclosed
US-9956220-B2 Imidazo-pyridazine derivatives as casein kinase 1 δ/ϵ inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-01 US disclosed
US-9956220-B2 Imidazo-pyridazine derivatives as casein kinase 1 δ/ϵ inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-01 US disclosed
US-9956220-B2 Imidazo-pyridazine derivatives as casein kinase 1 δ/ϵ inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-01 US disclosed
US-20170137427-A1 IMIDAZO-PYRIDAZINE DERIVATIVES AS CASEIN KINASE 1 DELTA/EPSILON INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-18 US disclosed
US-9273058-B2 Substituted pyrazolo-piperazines as casein kinase 1 δ/ε inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 US disclosed
WO-2015195880-A1 IMIDAZO-PYRIDAZNE DERIVATIVES AS CASEIN KINASE 1 DELTA/EPSILON INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-23 WO disclosed
WO-2015195880-A1 IMIDAZO-PYRIDAZNE DERIVATIVES AS CASEIN KINASE 1 DELTA/EPSILON INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-23 WO disclosed
WO-2015073763-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-21 WO disclosed
WO-2015073763-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-21 WO disclosed
WO-2015073767-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-21 WO disclosed
WO-2015073767-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-21 WO disclosed
US-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-05-14 US disclosed
US-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-05-14 US disclosed
US-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-05-14 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-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1E, CSNK1A1, CSNK1G1 PDCD1 567/4885CD274 1907/4885MKNK1 134/4885
US-20170137427-A1 IMIDAZO-PYRIDAZINE DERIVATIVES AS CASEIN KINASE 1 DELTA/EPSILON INHIBITORS CSNK1A1, CSNK1G1, CSNK1E PDCD1 1597/4885CD274 2827/4885MKNK1 195/4885
US-20250276972-A1 COMPOUNDS AS CASEIN KINASE INHIBITORS PACSIN2, CSNK1A1, CSNK1G3 PDCD1 4171/4885CD274 4717/4885MKNK1 78/4885

“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.