SCHEMBL1666072

SCHEMBL1666072

Clc1cc(NCc2ccccc2)ncn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 11/20 0.64
CYP2D6 P10635 9/20 0.64
CLK4 Q9HAZ1 8/20 0.64
TSHR P16473 8/20 0.64
CYP3A4 P08684 7/20 0.64
CYP2C19 P33261 7/20 0.64
MAPK1 P28482 6/20 0.64
ALOX15 P16050 1/20 0.64
TP53 P04637 4/20 0.56
HIF1A Q16665 4/20 0.56
HSD17B10 Q99714 7/20 0.54
ALDH1A1 P00352 6/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
USP2 O75604 2/20 0.54
NOS2 P35228 1/20 0.53
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL29836457 1.00 CYP1A2 (0.64) CYP1A2CYP2D6CLK4TSHRCYP3A4
SCHEMBL3948180 0.85 CYP1A2 (0.48) CYP1A2CYP2D6CLK4TSHRCYP3A4
SCHEMBL30792466 0.83 CYP1A2 (0.47) CYP1A2CYP2D6CLK4TSHRCYP3A4
SCHEMBL29192721 0.83 CYP1A2 (0.47) CYP1A2CYP2D6CLK4TSHRCYP3A4
SCHEMBL9609205 0.83 HTR7 (0.58) CYP1A2CYP2D6CLK4TSHRCYP3A4
SCHEMBL12466337 0.83 CCNT1 (0.57) CYP1A2CYP2D6CLK4TSHRCYP3A4
SCHEMBL16654031 0.83 CYP1A2 (0.67) CYP1A2CYP2D6CLK4TSHRCYP3A4
SCHEMBL23291905 0.82 ALDH1A1 (0.49) CYP1A2CYP2D6CLK4TSHRCYP3A4
SCHEMBL34463057 0.80 MAP4K4 (0.52) CYP1A2CYP2D6CLK4TSHRCYP3A4
SCHEMBL1136800 0.80 HTT (0.54) CYP1A2CYP2D6CLK4TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119487029-A N6-adenosyl-methyltransferase PROTAC and methods of use thereof 苏黎世大学 2025-02-18 CN disclosed
US-20240139189-A1 N6-ADENOSINE-METHYLTRANSFERASE INHIBITORS IN CANCER TREATMENT UNIVERSITY OF ZURICH (CH) 2024-05-02 US disclosed
CN-117715911-A N6-adenosyl-methyltransferase inhibitors in the treatment of cancer 苏黎世大学 2024-03-15 CN disclosed
WO-2023222762-A1 N6-ADENOSINE-METHYLTRANSFERASE PROTACS AND METHODS OF USE THEREOF UNIVERSITY OF ZURICH (CH) 2023-11-23 WO disclosed
EP-3807273-B1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARM SPA (IT) 2022-08-03 EP disclosed
EP-3421457-B1 PYRIMIDINE FGFR4 INHIBITORS EISAI R&D MAN CO LTD (JP) 2021-10-06 EP disclosed
US-20210253568-A1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2021-08-19 US disclosed
US-10912774-B2 Pyrimidine FGFR4 inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-02-09 US disclosed
US-10912774-B2 Pyrimidine FGFR4 inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-02-09 US disclosed
US-20200206222-A1 PYRIMIDINE FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-07-02 US disclosed
EP-0370704-B1 Aralkylamine derivatives, preparation thereof and fungicides containing the same UBE INDUSTRIES (JP) 1995-02-01 EP disclosed
EP-0264217-B1 ARALKYLAMINOPYRIMIDINE DERIVATIVE, PROCESS FOR PRODUCING THEREOF AND INSECTICIDE, ACARICIDE AND FUNGICIDE CONTAINING SAID DERIVATIVE AS ACTIVE INGREDIENT UBE INDUSTRIES, LTD. (JP) 1993-06-30 EP disclosed
US-5141941-A ARALKYLAMINE DERIVATIVES, AND FUNGICIDES CONTAINING THE SAME UBE INDUSTRIES, LTD. (JP) 1992-08-25 US disclosed
US-5073558-A AMINOPYRIMIDINE DERIVATIVE AND INSECTICIDE OR BACTERICIDE CONTAINING THE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 1991-12-17 US disclosed
US-4985426-A AGRICULTURAL USE UBE INDUSTRIES, LTD. (JP) 1991-01-15 US disclosed
EP-0356158-A1 Aminopyrimidine derivative, process for preparing the derivative, and insecticide or bactericide containing the derivative UBE INDUSTRIES, LTD. (JP) 1990-02-28 EP disclosed
US-4895849-A Aralkylaminopyrimidine compounds which are useful as for producing thereof and insecticides UBE INDUSTRIES, LTD. (JP) 1990-01-23 US disclosed
EP-0264217-A2 Aralkylaminopyrimidine derivative, process for producing thereof and insecticide, acaricide and fungicide containing said derivative as active ingredient UBE INDUSTRIES, LTD. (JP) 1988-04-20 EP disclosed
US-4435402-A Aminopyrimidine derivatives, processes for their preparation, and fungicidal, insecticidal and acaricidal compositions containing them SANKYO COMPANY, LIMITED (JP) 1984-03-06 US disclosed
EP-0057440-A1 Aminopyrimidine derivatives, processes for their preparation, and fungicidal, insecticidal and acaricidal compositions containing them SANKYO COMPANY LIMITED (JP) 1982-08-11 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 (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-10912774-B2 Pyrimidine FGFR4 inhibitors FGFR4, FGFR1, FGFR3 CYP1A2 2976/4885CYP2D6 2060/4885CLK4 2370/4885
US-20240139189-A1 N6-ADENOSINE-METHYLTRANSFERASE INHIBITORS IN CANCER TREATMENT NNMT, MTAP, RNMT CYP1A2 3481/4885CYP2D6 2613/4885CLK4 2489/4885
US-20210253568-A1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS ROCK1, ROCK2, RHOA CYP1A2 380/4885CYP2D6 2264/4885CLK4 4157/4885
US-20200206222-A1 PYRIMIDINE FGFR4 INHIBITORS FGFR4, FGFR1, FGFR3 CYP1A2 2976/4885CYP2D6 2060/4885CLK4 2370/4885

“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.