SCHEMBL399615

SCHEMBL399615

Cc1cc(N)n(C(C)(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 5/20 0.39
ATM Q13315 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
GAA P10253 1/20 0.36
NPC1 O15118 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
SCHEMBL2733622 0.76 ALDH1A1 (0.41) POLBCYP1A2SMN1; SMN2HPGDLMNA
SCHEMBL711746 0.76 KDM4E (0.49) POLBSMN1; SMN2HPGDLMNAKDM4E
SCHEMBL21720000 0.73 GAA (0.41) POLBSMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL21718652 0.73 ATM (0.39) POLBCYP1A2SMN1; SMN2HPGDLMNA
SCHEMBL21719846 0.73 ATM (0.39) POLBCYP1A2SMN1; SMN2HPGDKDM4E
SCHEMBL21720660 0.73 ATM (0.39) POLBCYP1A2SMN1; SMN2HPGDKDM4E
SCHEMBL9607537 0.73 ATM (0.39) POLBCYP1A2SMN1; SMN2HPGDKDM4E
SCHEMBL12462469 0.73 GAA (0.43) POLBCYP1A2SMN1; SMN2HPGDLMNA
SCHEMBL3661525 0.71 SMN1; SMN2 (0.58) POLBCYP1A2CYP2C19SMN1; SMN2HPGD
SCHEMBL21166026 0.71 POLB (0.44) POLBCYP1A2MAPK1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122005693-A Application of Jiaweidanzhi Xiaoyao powder or extract thereof in preparation of medicines for treating depression complicated with ulcerative colitis 河南中医药大学 2026-05-12 CN claimed
CN-122005693-A Application of Jiaweidanzhi Xiaoyao powder or extract thereof in preparation of medicines for treating depression complicated with ulcerative colitis 河南中医药大学 2026-05-12 CN disclosed
US-20240376075-A1 POLYMORPHIC FORMS OF AURORA A SELECTIVE INHIBITORS AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-11-14 US disclosed
CN-118084890-A Isoxazoline-containing pyrazole amide compound as well as preparation method and application thereof 安徽农业大学 2024-05-28 CN disclosed
CN-117836285-A Polymorphic forms of AURORA a selective inhibitor and uses thereof 北京加科思新药研发有限公司 2024-04-05 CN disclosed
CN-116354936-A Novel heterocyclic compounds useful as selective AURORA a inhibitors 北京加科思新药研发有限公司 2023-06-30 CN disclosed
US-20230128198-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS AURORA A SELECTIVE INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD (CN) 2023-04-27 US disclosed
CN-114423751-B Novel heterocyclic compounds useful as selective AURORA a inhibitors 北京加科思新药研发有限公司 2023-04-21 CN disclosed
WO-2023005957-A1 POLYMORPHIC FORMS OF AURORA A SELECTIVE INHIBITORS AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-02-02 WO disclosed
EP-4093736-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS AURORA A SELECTIVE INHIBITORS Jacobio Pharmaceuticals Co., Ltd. (CN) 2022-11-30 EP disclosed
US-20060089359-A1 Phthalazinone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-04-27 US disclosed
WO-2006032518-A1 NOVEL PHTHALAZINONE DERIVATIVES, AS AURORA-A KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-30 WO disclosed
US-6645258-B2 Oxidation base selected from a 3-substituted 4,5-diaminopyrazoles; reacting L'OREAL, S.A. (FR) 2003-11-11 US disclosed
US-20030019051-A9 Composition for dyeing keratin fibers which contain at least one diaminopyrazole, dyeing process, novel diaminopyrazoles and process for their preparation L'OREAL 2003-01-30 US disclosed
US-20020050013-A1 Composition for dyeing keratin fibers which contain at least one diaminopyrazole, dyeing process, novel diaminopyrazoles and process for their preparation L'OREAL 2002-05-02 US disclosed
US-6338741-B1 3-SUBSTITUTED 4,5-DIAMINOPYRAZOLES, OXIDATION HAIR DYES, STRONG COLORATION IN SHADES RANGING FROM RED TO BLUE L'OREAL (FR) 2002-01-15 US disclosed
US-6099592-A SPECIFIED 3-SUBSTITUTED 4,5-DIAMINOPYRAZOLES SUCH AS 1-BENZYL-4,5-DIAMINO-3-METHYLPYRAZOLE AS OXIDATION DYE PRECURSORS; USE TO OBTAIN DYE COMPOSITIONS LEADING TO STRONG COLORATIONS, IN SHADES RANGING FROM RED TO BLUE L'OREAL (FR) 2000-08-08 US disclosed
EP-0389189-B1 Diazepine antiallergy agents PFIZER LTD (GB) 1994-05-18 EP disclosed
US-5008263-A Platelet activating factor antagonists; antiallergens; antiinflammatory agents PFIZER INC. (US) 1991-04-16 US disclosed
EP-0389189-A2 Diazepine antiallergy agents Pfizer Limited (GB) 1990-09-26 EP 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-20060089359-A1 Phthalazinone derivatives SDHA, SDHB, CYP3A5 POLB 819/4885CYP1A2 151/4885CYP2C19 34/4885
US-20020050013-A1 Composition for dyeing keratin fibers which contain at least one diaminopyrazole, dyeing process, novel diaminopyrazoles and process for their preparation KRT18, DSP, TUBB3 POLB 909/4885CYP1A2 928/4885CYP2C19 1890/4885
US-20030019051-A9 Composition for dyeing keratin fibers which contain at least one diaminopyrazole, dyeing process, novel diaminopyrazoles and process for their preparation KRT18, DSP, TUBB3 POLB 909/4885CYP1A2 928/4885CYP2C19 1890/4885
US-20240376075-A1 POLYMORPHIC FORMS OF AURORA A SELECTIVE INHIBITORS AND USES THEREOF AURKA, AURKC, AURKB POLB 495/4885CYP1A2 2383/4885CYP2C19 1689/4885
US-20230128198-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS AURORA A SELECTIVE INHIBITORS AURKA, AURKC, AURKB POLB 2327/4885CYP1A2 3840/4885CYP2C19 3811/4885

“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.