SCHEMBL3244749

SCHEMBL3244749

Cc1ccc(CC#N)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.44
ENPP2 Q13822 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MMP3 P08254 1/20 0.39
CTSB P07858 1/20 0.38
ALDH1A1 P00352 2/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
LMNA P02545 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PTBP1 P26599 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
GAA P10253 1/20 0.34

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
Toluene SCHEMBL27295519 0.89 CTSB (0.41) HTTENPP2TDP1KDM4EMMP3
SCHEMBL8763098 0.83 ENPP2 (0.39) HTTENPP2TDP1KDM4EMMP3
SCHEMBL11811358 0.81 PTPRC (0.38) HTTENPP2TDP1KDM4EMMP3
SCHEMBL8282785 0.81 DAO (0.41) HTTENPP2TDP1KDM4EMMP3
SCHEMBL31347534 0.81 TDP1 (0.45) HTTENPP2TDP1KDM4EMMP3
SCHEMBL7202582 0.81 MAPT (0.43) HTTENPP2TDP1KDM4EMMP3
SCHEMBL7200049 0.81 ENPP2 (0.38) HTTENPP2TDP1KDM4EMMP3
SCHEMBL1235275 0.81 MMP3 (0.43) ENPP2TDP1KDM4EMMP3ALDH1A1
SCHEMBL15334775 0.81 TSHR (0.43) HTTENPP2TDP1KDM4EMMP3
SCHEMBL2126396 0.81 ENPP2 (0.38) HTTENPP2TDP1KDM4EMMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4307034-A ALKYLATION IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1981-12-22 US claimed
WO-2024171769-A1 METHOD FOR PRODUCING ALKYLATED COMPOUND 国立大学法人 東京大学 2024-08-22 WO disclosed
EP-3838903-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2023-11-22 EP disclosed
US-20230212207-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-07-06 US disclosed
EP-3466953-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2021-02-03 EP disclosed
EP-2343298-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2020-05-06 EP disclosed
US-10639310-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2020-05-05 US disclosed
US-20190169084-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2019-06-06 US disclosed
US-20190125750-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2019-05-02 US disclosed
EP-3345894-A1 COMPOUND HAVING PROTEIN TYROSINE PHOSPHATASE SHP-1 AGONIST ACTIVITY Chen, Kuenfeng (TW) 2018-07-11 EP disclosed
EP-0714891-A1 Heterocyclic tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-06-05 EP disclosed
WO-1996006094-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1996-02-29 WO disclosed
US-5242944-A Analgesics or antiinflammatory agents KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-09-07 US disclosed
EP-0525360-A2 Novel phenylacetamide derivatives and processes for the preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-02-03 EP disclosed
US-4895862-A ANTIDIABETIC AMERICAN HOME PRODUCTS CORP. (US) 1990-01-23 US disclosed
US-4307034-A ALKYLATION IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1981-12-22 US disclosed
US-4249022-A Process for the manufacture of 1,4-disubstituted bicyclic or tricyclic compounds and new 1,4-disubstituted bicyclic compounds CIBA-GEIGY CORPORATION (US) 1981-02-03 US disclosed
US-4154754-A 1,4-Dicyanonaphthalenes CIBA-GEIGY CORPORATION (US) 1979-05-15 US disclosed
US-4048212-A Process for the manufacture of 1,4-dicyanonaphthalenes CIBA-GEIGY CORPORATION (US) 1977-09-13 US disclosed
US-4011261-A PROCESS FOR THE MANUFACTURE OF 1,4-DISUBSTITUTED BICYCLIC OR TRICYCLIC COMPOUNDS AND NEW 1,4-DISUBSTITUTED BICYCLIC COMPOUNDS CIBA-GEIGY CORPORATION (US) 1977-03-08 US 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 (4 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-10639310-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 HTT 3554/4885ENPP2 1900/4885TDP1 1172/4885
US-20230212207-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OTC, OCIAD1 HTT 1505/4885ENPP2 2057/4885TDP1 2232/4885
US-20190125750-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 HTT 3554/4885ENPP2 1900/4885TDP1 1172/4885
US-20190169084-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING PTGES3, PTGES, HPGDS HTT 4566/4885ENPP2 173/4885TDP1 3824/4885

“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.