SCHEMBL85621

SCHEMBL85621

Cc1nc2ccccc2c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 1.00
ALDH1A1 P00352 3/20 0.65
HSD17B10 Q99714 3/20 0.65
CYP1A2 P05177 2/20 0.65
HPGD P15428 2/20 0.65
NUDT1 P36639 1/20 0.65
PDE10A Q9Y233 1/20 0.52
MPO P05164 1/20 0.48
RAD52 P43351 1/20 0.48
TP53 P04637 1/20 0.48
ERN1 O75460 1/20 0.48
MAPT P10636 1/20 0.48
CASP3 P42574 1/20 0.48
KMT2A Q03164 1/20 0.48
HTT P42858 1/20 0.47
BACE1 P56817 1/20 0.47
NCF1 P14598 1/20 0.47
DCPS Q96C86 1/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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 SCHEMBL3907848 0.98 GPR3 (0.95) GPR3ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL22490105 0.83 GPR3 (0.70) GPR3ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL3259024 0.83 GPR3 (0.70) GPR3ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL23550746 0.82 GPR3 (0.69) GPR3ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL28588653 0.82 GPR3 (0.69) GPR3ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL17532756 0.82 GPR3 (0.68) GPR3ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL24608578 0.82 GPR3 (0.68) GPR3ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL29538477 0.81 GPR3 (0.67) GPR3ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL21244207 0.80 GPR3 (0.66) GPR3ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL18771828 0.80 GPR3 (0.66) GPR3ALDH1A1HSD17B10CYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116730916-A Method for synthesizing 6-methylphenidate compound by photocatalysis 安徽理工大学 2023-09-12 CN claimed
EP-3542801-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAP-RELATED DISEASES Boehringer Ingelheim International GmbH (DE) 2019-09-25 EP claimed
CN-109422683-A A method of synthesis 6- aldehyde radical phenanthridines class compound and its derivative 浙江工业大学 2019-03-05 CN claimed
CN-109422684-A A method of synthesis 6- methyl phenanthridines class compound 浙江工业大学 2019-03-05 CN claimed
US-20160136180-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-05-19 US claimed
US-20110112069-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-12 US claimed
US-20100144703-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-10 US claimed
EP-2190434-A2 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES Boehringer Ingelheim International GmbH (DE) 2010-06-02 EP claimed
EP-1562946-B1 NOVEL XANTHINE DERIVATIVES, THE PRODUCTION AND THE USE THEREOF IN THE FORM OF DRUGS BOEHRINGER INGELHEIM PHARMA (DE) 2010-05-26 EP claimed
US-7566707-B2 Imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-28 US claimed
WO-2009024542-A2 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-26 WO claimed
EP-1641799-B1 IMIDAZO-PYRIDAZINONE DERIVATIVES AND IMIDAZO-PYRIDONE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2008-03-12 EP claimed
US-20050026921-A1 New imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-03 US claimed
US-20040138214-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 US claimed
CN-116730916-B Method for synthesizing 6-methylphenidate compound by photocatalysis 安徽理工大学 2025-09-16 CN disclosed
US-20240239780-A1 MODIFIED FERROPORTIN INHIBITORS VIFOR (INTERNATIONAL) AG (CH) 2024-07-18 US disclosed
US-20240239780-A1 MODIFIED FERROPORTIN INHIBITORS VIFOR (INTERNATIONAL) AG (CH) 2024-07-18 US disclosed
CN-85107531-A Process for producing vinyl chloride polymer 1987-01-21 CN disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP disclosed
EP-0045171-B1 9-AMINO-1-HYDROXYOCTAHYDROBENZO(C)QUINOLINES AND DERIVATIVES THEREOF PFIZER INC. (US) 1985-02-13 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 (6 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-20040138214-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP7, DPP3 GPR3 1690/4885ALDH1A1 198/4885HSD17B10 413/4885
US-20100144703-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP7, DPP3 GPR3 1601/4885ALDH1A1 401/4885HSD17B10 598/4885
US-20240239780-A1 MODIFIED FERROPORTIN INHIBITORS SLC40A1, HAMP, TFRC GPR3 3632/4885ALDH1A1 1792/4885HSD17B10 972/4885
US-20160136180-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES PNP, ENTPD5, NUDT14 GPR3 2903/4885ALDH1A1 3607/4885HSD17B10 4650/4885
US-20110112069-A1 PURIN DERIVATIVES FOR USE IN THE TREATMENT OF FAB-RELATED DISEASES PNP, PURB, NUDT14 GPR3 3222/4885ALDH1A1 3774/4885HSD17B10 4659/4885
US-20050026921-A1 New imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 GPR3 2729/4885ALDH1A1 239/4885HSD17B10 1093/4885

“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.