SCHEMBL533537

SCHEMBL533537

[c]1ccc(-c2cnccn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.47
CYP19A1 P11511 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NISCH Q9Y2I1 1/20 0.41
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PI4KA P42356 1/20 0.39
PIK3CG P48736 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
MAPT P10636 1/20 0.38
PIM2 Q9P1W9 2/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
PIM1 P11309 2/20 0.36
METAP2 P50579 1/20 0.36
CYP2A6 P11509 1/20 0.35
NPY5R Q15761 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
SCHEMBL11541937 0.84 CYP2D6 (0.60) CYP2D6CYP19A1CYP2C9CYP2C19NISCH
SCHEMBL29683245 0.79 CYP19A1 (0.52) CYP2D6CYP19A1CYP2C9CYP2C19NISCH
SCHEMBL17246864 0.79 CYP19A1 (0.52) CYP2D6CYP19A1CYP2C9CYP2C19NISCH
SCHEMBL743499 0.79 CYP2D6 (0.41) CYP2D6CYP19A1CYP2C9CYP2C19NISCH
SCHEMBL9187754 0.79 HSD17B1 (0.38)
SCHEMBL166615 0.77 CYP2A6 (0.52) CYP2D6CYP19A1CYP2C9CYP2C19PIM2
SCHEMBL29904375 0.77 CYP2A6 (0.52) CYP2D6CYP19A1CYP2C9CYP2C19PIM2
SCHEMBL2431051 0.76 PIM2 (0.40) CYP2D6CYP19A1CYP2C9CYP2C19NISCH
Hydrochloric Acid SCHEMBL6061020 0.76 CYP2A6 (0.50) CYP2D6CYP19A1CYP2C9CYP2C19PIM2
Hydrochloric Acid SCHEMBL4552312 0.76 CYP2A6 (0.50) CYP2D6CYP19A1CYP2C9CYP2C19PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197277-B1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION INC (US) 2021-12-22 EP claimed
CN-106414429-B Pyrazole compounds and their use as T-type calcium channel blockers 爱杜西亚药品有限公司 2020-01-03 CN claimed
US-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-09-04 US claimed
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-19 US claimed
US-9932314-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-03 US claimed
US-20170283439-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CCHDI Foundation Inc. (US) 2017-10-05 US claimed
CN-107011248-A Compound and organic electronic device thereof 彩丰精技股份有限公司 2017-08-04 CN claimed
EP-3197277-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI Foundation, Inc. (US) 2017-08-02 EP claimed
EP-3152199-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS Actelion Pharmaceuticals Ltd. (CH) 2017-04-12 EP claimed
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2017-04-06 US claimed
US-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US claimed
US-20040176461-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER INC 2004-09-09 US claimed
EP-1423386-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP claimed
US-20030105092-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists CAMERON KIMBERLEY Q (US) 2003-06-05 US claimed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 WO claimed
US-6492412-B2 ADMINISTERING TO A MAMMAL A THERAPEUTICALLY EFFECTIVE AMOUNT OF A COMPOUND OF SULFONAMIDE OR ALKANOY OR AMIDE DERIVATIVE CONTAINING HETERO OR AROMATIC RINGS TO TREAT OSTEOPOROSIS, OSTEOTOMY, CHILDHOOD IDIOPATHIC BOEN LOSS ETC. PFIZER, INC. 2002-12-10 US claimed
US-20020016368-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists CAMERON KIMBERLY O (US) 2002-02-07 US claimed
CN-1241176-A Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER (US) 2000-01-12 CN claimed
EP-0946501-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1999-10-06 EP claimed
WO-1998028264-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1998-07-02 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20040176461-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 CYP2D6 3877/4885CYP19A1 265/4885CYP2C9 4033/4885
US-20020016368-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 CYP2D6 3877/4885CYP19A1 265/4885CYP2C9 4033/4885
US-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers CACNA1E, CACNA1I, CACNA1G CYP2D6 827/4885CYP19A1 2436/4885CYP2C9 425/4885
US-20030105092-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 CYP2D6 3877/4885CYP19A1 265/4885CYP2C9 4033/4885
US-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors TNF, MMP9, MMP1 CYP2D6 1700/4885CYP19A1 1466/4885CYP2C9 1158/4885
US-20170283439-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 CYP2D6 4849/4885CYP19A1 4704/4885CYP2C9 4848/4885
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G CYP2D6 827/4885CYP19A1 2436/4885CYP2C9 425/4885
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G CYP2D6 827/4885CYP19A1 2436/4885CYP2C9 425/4885

“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.