SCHEMBL387289

SCHEMBL387289

Cc1cc(N)n(-c2ccccc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 1.00
CYP2C19 P33261 2/20 1.00
MAPK1 P28482 2/20 1.00
ALDH1A1 P00352 5/20 0.71
RAB9A P51151 8/20 0.67
SMN1; SMN2 Q16637 8/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2C9 P11712 1/20 0.67
LMNA P02545 2/20 0.64
POLB P06746 1/20 0.63
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
NPC1 O15118 5/20 0.60
MAPT P10636 1/20 0.60
STAT1 P42224 1/20 0.60
FCGR1A P12314 1/20 0.59
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57

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
Hydrochloric Acid SCHEMBL11333910 0.98 CYP1A2 (0.96) CYP1A2CYP2C19MAPK1ALDH1A1RAB9A
SCHEMBL8864119 0.84 CYP1A2 (0.72) CYP1A2CYP2C19MAPK1ALDH1A1RAB9A
SCHEMBL224624 0.84 CYP1A2 (0.72) CYP1A2CYP2C19MAPK1ALDH1A1RAB9A
SCHEMBL11323126 0.83 ALDH1A1 (1.00) CYP1A2CYP2C19MAPK1ALDH1A1RAB9A
SCHEMBL10580161 0.83 ALDH1A1 (0.75) CYP1A2CYP2C19MAPK1ALDH1A1RAB9A
SCHEMBL6350912 0.82 CYP1A2 (0.70) CYP1A2CYP2C19MAPK1ALDH1A1RAB9A
SCHEMBL11061485 0.82 CYP1A2 (0.68) CYP1A2CYP2C19MAPK1ALDH1A1RAB9A
3-Aminobenzoic Acid SCHEMBL8008127 0.81 CYP1A2 (0.66) CYP1A2CYP2C19MAPK1ALDH1A1RAB9A
SCHEMBL1143474 0.81 CYP1A2 (0.68) CYP1A2CYP2C19MAPK1ALDH1A1RAB9A
SCHEMBL20413703 0.81 CYP1A2 (0.68) CYP1A2CYP2C19MAPK1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115353515-B Preparation method and catalyst of pharmaceutical intermediate pyrazoloquinolinone derivative 上海润诺生物科技有限公司 2025-06-13 CN claimed
CN-112940524-B Heterocyclic disperse yellow dye compound, preparation method thereof and dye composition 蓬莱嘉信染料化工股份有限公司 2023-11-24 CN claimed
CN-113862710-B Electrochemical synthesis method of dihydro-dipyrazole [3,4-b:4',3' -e ] pyridine compound 阜阳师范大学 2023-11-03 CN claimed
CN-115537855-A Method for electrochemically synthesizing 4-iodine-5-aminopyrazole compound 阜阳师范大学 2022-12-30 CN claimed
CN-115353515-A Preparation method and catalyst of medical intermediate pyrazoloquinolinone derivative 南京苏亦欣医药科技有限公司 2022-11-18 CN claimed
CN-114933593-A Multi-heterocyclic compound containing trifluoromethyl pyrazolone structural unit, preparation method and application thereof 上海大学 2022-08-23 CN claimed
CN-113862710-A Electrochemical synthesis method of dihydrodipyrazolo [3,4-b:4',3' -e ] pyridine compound 阜阳师范大学 2021-12-31 CN claimed
CN-112940524-A Heterocyclic disperse yellow dye compound, preparation method thereof and dye composition 蓬莱嘉信染料化工股份有限公司 2021-06-11 CN claimed
CN-111410818-A High-molecular flame-retardant material containing pyrazole flame retardant and preparation method thereof 皖西学院 2020-07-14 CN claimed
CN-111269265-A Pyrazole-rich flame retardant and preparation method thereof 皖西学院 2020-06-12 CN claimed
US-7553991-B1 Process for producing carboxylic acid anhydrides CHINA PETROCHEMICAL DEVELOPMENT CORPORATION (TW) 2009-06-30 US claimed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP claimed
US-20060276453-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US claimed
EP-1331222-A1 Environment friendly reagents and process for halogenoalkylsulfinylation of organic compounds VIRBAC S.A. (FR) 2003-07-30 EP claimed
US-4918183-A Monoazo dyes, process for their preparation, and the use thereof CIBA-GEIGY CORPORATION (US) 1990-04-17 US claimed
EP-0102325-B1 MONOAZO DYESTUFFS, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1987-01-21 EP claimed
US-4602084-A Monoazo dyes containing a 4-substituted-2-azo-1,1'-diphenylsulfone component CIBA-GEIGY CORPORATION (US) 1986-07-22 US claimed
EP-0101408-B1 MONOAZO DYESTUFFS, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1986-05-07 EP claimed
US-4505857-A DISPERSE DYES FOR TEXTILE DYEING; COLORFASTNESS SANDOZ LTD. (CH) 1985-03-19 US claimed
US-3945991-A Heterocyclic azo compounds containing a quaternated hydrazide group CIBA-GEIGY AG (CH) 1976-03-23 US 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 (1 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-20060276453-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 CYP1A2 3664/4885CYP2C19 4721/4885MAPK1 33/4885

“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.