SCHEMBL63013

SCHEMBL63013

[c]1nccn1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.31
MEN1 O00255 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
NOTUM Q6P988 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CHEK1 O14757 1/20 0.31
MAP4K4 O95819 1/20 0.31
CSF1R P07333 1/20 0.31
PRKACA P17612 1/20 0.31
KDR P35968 1/20 0.31
CDK8 P49336 1/20 0.31

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
SCHEMBL27967289 0.82 ALDH1A1 (0.43) CYP3A4SMN1; SMN2MEN1ALOX15TSHR
SCHEMBL9168715 0.81 CYP2A6 (0.47) CYP3A4MAPTL3MBTL1CYP1A2
SCHEMBL27588554 0.80 MAPT (0.42) CYP3A4KDM4EPOLBMAPTLMNA
SCHEMBL6610287 0.80 NOTUM (0.42) KDM4EMAPTLMNASMN1; SMN2KMT2A
SCHEMBL2092435 0.80 NOTUM (0.42) POLBLMNAMEN1KMT2ANOTUM
SCHEMBL9171177 0.80 ENPP2 (0.42) CYP3A4KDM4EHPGDPOLBMAPT
SCHEMBL9763868 0.78 KEAP1 (0.49) POLBMAPTGAAKMT2ANOTUM
SCHEMBL27588539 0.78 MEN1 (0.43) CYP3A4LMNAGAASMN1; SMN2MEN1
SCHEMBL27606547 0.78 MAPT (0.48) CYP3A4KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL2446722 0.78 NOTUM (0.49) CYP3A4KDM4EPOLBSMN1; SMN2NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116806149-A Methods and compositions for treating pathological conditions involving neovascularization using IDO 1-dependent angiogenic cells 兰肯瑙医学研究所 2023-09-26 CN claimed
CN-111961198-A Halogen-free flame-retardant toughening agent and preparation method and application thereof 桂林理工大学 2020-11-20 CN claimed
EP-2694509-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS INHIBITORS OF TROPOMYOSIN-RELATED KINASES PFIZER LTD (GB) 2016-05-18 EP claimed
US-20140364415-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2014-12-11 US claimed
US-8846698-B2 Pyrrolo[2,3-d]pyrimidine tropomysin-related kinase inhibitors PFIZER LIMITED (US) 2014-09-30 US claimed
EP-2635562-B1 PYRROLIDINE DERIVATIVES USED AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2014-09-03 EP claimed
EP-2694509-A1 PYRROLO [2, 3 -D]PYRIMIDINE DERIVATIVES AS INHIBITORS OF TROPOMYOSIN- RELATED KINASES Pfizer Limited (GB) 2014-02-12 EP claimed
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP claimed
EP-2635562-A1 PYRROLIDINE DERIVATIVES USED AS CATHEPSIN INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-11 EP claimed
US-8524710-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2013-09-03 US claimed
EP-0876370-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-11-11 EP claimed
WO-1998008813-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED PYRROLIDINE LIBRARIES ELI LILLY AND COMPANY (US) 1998-03-05 WO claimed
US-5654326-A SEPTIC SHOCK; HUMAN NONPANCREATIC SECRETORY PHOSPHOLIPASE ELI LILLY AND COMPANY (US) 1997-08-05 US claimed
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP claimed
WO-1997025325-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-17 WO claimed
US-5641800-A ALLEVIATE EFFECT OF SEPTIC SHOCK, ADULT RESPIRATORY DISTRESS SYNDROME, PANCREATITIS, TRAUMA, BRONCHIAL ASTHMA, ALLERGIC RHINITIS, AND RHEUMATOID ARTHRITIS ELI LILLY AND COMPANY (US) 1997-06-24 US claimed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO claimed
US-5066652-A ANTIULCER AGENTS CHIESI FARMACEUTICI S.P.A. (IT) 1991-11-19 US claimed
US-4933356-A GLAUCOMA TREATMENT CORNELL RESEARCH FOUNDATION, INC. (US) 1990-06-12 US claimed
EP-0301422-A2 Thiomethyl and sulfinylmethyl derivatives having gastric acid antisecretory activity, processes for the preparation thereof and pharmaceutical compositions containing them CHIESI FARMACEUTICI S.p.A. (IT) 1989-02-01 EP 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-20140364415-A1 PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS DMPK, DTYMK, MUSK CYP3A4 3422/4885KDM4E 1866/4885HPGD 2823/4885

“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.