SCHEMBL5023714

SCHEMBL5023714

CCc1cn(Cc2ccccc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.49
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2E1 P05181 1/20 0.48
CYP2A6 P11509 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2B6 P20813 1/20 0.48
CYP2C19 P33261 1/20 0.48
CYP19A1 P11511 7/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KDM5A P29375 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
PHF8 Q9UPP1 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44

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
SCHEMBL10269258 0.86 CYP19A1 (0.54) HPGDSCYP3A4CYP2D6CYP2E1CYP2A6
Ethoxycarbonyl Group SCHEMBL27985237 0.86 CYP3A4 (0.41) HPGDSCYP3A4CYP2D6CYP2E1CYP2A6
SCHEMBL30741761 0.84 HPGDS (0.50) HPGDSCYP3A4CYP2D6CYP2E1CYP2A6
SCHEMBL28417084 0.84 HPGDS (0.50) HPGDSCYP3A4CYP2D6CYP2E1CYP2A6
SCHEMBL15473178 0.83 HTT (0.41) CYP19A1KDM4CMAPTTP53
SCHEMBL28422539 0.82 HPGDS (0.49) HPGDSCYP3A4CYP2D6CYP2E1CYP2A6
SCHEMBL9598245 0.82 CYP3A4 (0.51) HPGDSCYP3A4CYP2D6CYP2E1CYP2A6
SCHEMBL28417071 0.82 HPGDS (0.49) HPGDSCYP3A4CYP2D6CYP2E1CYP2A6
SCHEMBL28074771 0.82 HPGDS (0.49) HPGDSCYP3A4CYP2D6CYP2E1CYP2A6
SCHEMBL1187114 0.82 KDM4E (0.50) HPGDSCYP3A4CYP2D6CYP2E1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3400229-B1 18/19F-LABELLED COMPOUNDS WHICH TARGET THE PROSTATE SPECIFIC MEMBRANE ANTIGEN PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2024-03-06 EP disclosed
US-11760728-B2 Tead inhibitors and uses thereof Ikena Oncology, Inc. (US) 2023-09-19 US disclosed
EP-3743430-B1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-08-02 EP disclosed
US-20230118205-A1 NOVEL COMPOUNDS (IMMUNORHELINS) ISR IMMUNE SYSTEM REGULATION HOLDING AB PUBL (SE) 2023-04-20 US disclosed
US-11564969-B2 Immunorhelin compounds for intracellular infections ISR Immune System Regulation Holding AB (publ) (SE) 2023-01-31 US disclosed
WO-2022187518-A1 SUBSTITUTED 4-PIPERIDINYL-IMIDAZO[4,5-B]PYRIDINES AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS Ikena Oncology, Inc. (US) 2022-09-09 WO disclosed
US-11434258-B2 Compounds (immunorhelins) ISR Immune System Regulation Holding AB (SE) 2022-09-06 US disclosed
WO-2020243415-A2 TEAD INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2020-12-03 WO disclosed
US-10736932-B2 Small molecule Ras inhibitors OHIO STATE INNOVATION FOUNDATION (US) 2020-08-11 US disclosed
US-20170304383-A1 SMALL MOLECULE RAS INHIBITORS OHIO STATE INNOVATION FOUNDATION 2017-10-26 US disclosed
CN-104016925-A Method for synthesizing 4-alkylimidazole-2-carboxylic acid I UNIV ZUNYI MEDICAL 2014-09-03 CN disclosed
US-8716492-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-06 US disclosed
US-8551956-B2 Compositions containing peptides with non-natural amino acids and methods of use AVON PRODUCTS, INC. (US) 2013-10-08 US disclosed
US-8551956-B2 Compositions containing peptides with non-natural amino acids and methods of use AVON PRODUCTS, INC. (US) 2013-10-08 US disclosed
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
US-20090082252-A1 Compositions Containing Peptides with Non-Natural Amino Acids and Methods of Use AVON PRODUCTS INC. 2009-03-26 US disclosed
US-20090082252-A1 Compositions Containing Peptides with Non-Natural Amino Acids and Methods of Use AVON PRODUCTS INC. 2009-03-26 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
WO-2007100874-A2 COMPOSITIONS CONTAINING PEPTIDES WITH NON-NATURAL AMINO ACIDS AND METHODS OF USE AVON PRODUCTS, INC. (US) 2007-09-07 WO 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 (9 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-20230118205-A1 NOVEL COMPOUNDS (IMMUNORHELINS) GNRHR, FSHR, LHCGR HPGDS 574/4885CYP3A4 4720/4885CYP2D6 4519/4885
US-10736932-B2 Small molecule Ras inhibitors KRAS, NRAS, HRAS HPGDS 721/4885CYP3A4 4177/4885CYP2D6 2378/4885
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 HPGDS 827/4885CYP3A4 3002/4885CYP2D6 2747/4885
US-20170304383-A1 SMALL MOLECULE RAS INHIBITORS KRAS, NRAS, HRAS HPGDS 721/4885CYP3A4 4177/4885CYP2D6 2378/4885
US-11564969-B2 Immunorhelin compounds for intracellular infections GNRHR, GHRHR, FSHR HPGDS 688/4885CYP3A4 4792/4885CYP2D6 4718/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 HPGDS 4758/4885CYP3A4 1584/4885CYP2D6 427/4885
US-11760728-B2 Tead inhibitors and uses thereof TEAD2, TEAD3, TEAD4 HPGDS 1259/4885CYP3A4 858/4885CYP2D6 1755/4885
US-20090082252-A1 Compositions Containing Peptides with Non-Natural Amino Acids and Methods of Use CUTA, NGLY1, LNPEP HPGDS 2356/4885CYP3A4 4882/4885CYP2D6 4775/4885
US-11434258-B2 Compounds (immunorhelins) GNRHR, FSHR, LHCGR HPGDS 479/4885CYP3A4 4460/4885CYP2D6 3930/4885

“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.