SCHEMBL904383

SCHEMBL904383

c1cnc(-c2cc[nH]n2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 3/20 0.41
▸ NISCH Q9Y2I1 1/20 0.40
▸ CYP2D6 P10635 1/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ METAP2 P50579 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.37
▸ RECQL P46063 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35

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
SCHEMBL29454745 0.76 NISCH (0.50) PIM1NISCHCYP2D6CYP19A1CYP2C9
SCHEMBL29598957 0.76 NISCH (0.50) PIM1NISCHCYP2D6CYP19A1CYP2C9
SCHEMBL1673128 0.76 — —
SCHEMBL78566 0.76 NISCH (0.50) PIM1NISCHCYP2D6CYP19A1CYP2C9
SCHEMBL27985753 0.74 DHFR (0.33) PIM1METAP2KDM4ERECQLHTT
SCHEMBL31372462 0.74 NISCH (0.48) PIM1NISCHCYP2D6CYP19A1CYP2C9
SCHEMBL14053846 0.74 NISCH (0.48) PIM1NISCHCYP2D6CYP19A1CYP2C9
SCHEMBL9794662 0.74 NISCH (0.48) PIM1NISCHCYP2D6CYP19A1CYP2C9
Hydrochloric Acid SCHEMBL3640139 0.74 NISCH (0.48) PIM1NISCHCYP2D6CYP19A1CYP2C9
SCHEMBL27985757 0.73 PIM1 (0.34) PIM1METAP2KDM4ERECQLHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459235-B Pyrazinyl pyrazoles BAYER CROPSCIENCE AG 2015-03-11 — — CN claimed
EP-2435420-B1 Pyrazinylpyrazoles BAYER CROPSCIENCE AG (DE) 2013-04-03 — — EP claimed
US-20120190687-A1 Pyrazinylpyrazoles BAYER CROPSCIENCE AG 2012-07-26 — — US claimed
CN-102459235-A Pyrazinyl pyrazoles BAYER CROPSCIENCE AG 2012-05-16 — — CN claimed
EP-2266973-A1 Pyrazinylpyrazole Bayer CropScience AG (DE) 2010-12-29 — — EP claimed
WO-2010136145-A1 PYRAZINYLPYRAZOLES BAYER CROPSCIENCE AG (DE) 2010-12-02 — — WO claimed
CN-111925370-B Pyrazinopyrazoles naphthyridine compound and preparation method and application thereof 湖北科苑生物药业有限公司 2023-07-21 — — CN disclosed
EP-3429994-B1 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER MISSION THERAPEUTICS LTD (GB) 2021-06-16 — — EP disclosed
US-10683269-B2 2-cyanoisoindoline derivatives for treating cancer MISSION THERAPEUTICS LIMITED (GB) 2020-06-16 — — US disclosed
CN-106414473-B Polyene macrolide derivatives 盐野义制药株式会社 2020-03-13 — — CN disclosed
CN-107567503-A Prognostic biomarkers for TTK inhibitor chemotherapy 荷兰转化研究中心有限责任公司 2018-01-09 — — CN disclosed
CN-104194380-B The method of dyeing and lightening keratin materials in the presence of the reducing agent comprising fluorescent disulphide dye 莱雅公司 2017-07-21 — — CN disclosed
US-9066945-B2 Ectoparasiticidal active substance combinations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-30 — — US disclosed
US-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) GLAXO GROUP LIMITED (GB) 2004-09-09 — — US disclosed
EP-1383747-A1 FUSED PYRIMIDINES AS ANTAGONISTS OF THE CORTICOTROPIN RELEASING FACTOR (CRF) GLAXO GROUP LIMITED (GB) 2004-01-28 — — EP disclosed
WO-2002088095-A1 FUSED PYRIMIDINES AS ANTAGONISTS OF THE CORTICOTROPIN RELEASING FACTOR (CRF) GLAXO GROUP LIMITED (GB) 2002-11-07 — — WO disclosed
US-5210193-A Bactericide AMERICAN CYANAMID COMPANY (US) 1993-05-11 — — US disclosed
US-5102893-A Anticholestrerol agents WARNER-LAMBERT COMPANY (US) 1992-04-07 — — US disclosed
US-4957971-A Trans-6-(2-(N-heteroaryl-3,5-disubstituted)pyrazol-4-yl)-ethyl)-or ethenyl)tetrahydro-4-hydroxypyran-2-one inhibitors of cholesterol biosynthesis WARNER-LAMBERT COMPANY (US) 1990-09-18 — — US disclosed
US-4940710-A 7-(substituted)piperazinyl-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids AMERICAN CYANAMID COMPANY (US) 1990-07-10 — — 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-10683269-B2 2-cyanoisoindoline derivatives for treating cancer USP7, USP47, USP2 PIM1 2673/4885NISCH 1679/4885CYP2D6 1568/4885
US-20120190687-A1 Pyrazinylpyrazoles CYP4F3, CYP4B1, CYP1A2 PIM1 1284/4885NISCH 73/4885CYP2D6 92/4885
US-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) CRH, CRHR1, CRHR2 PIM1 4010/4885NISCH 645/4885CYP2D6 934/4885

“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.

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