SCHEMBL6359292

SCHEMBL6359292

CCc1nc(N)nc(N)c1-c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 1.00
NCOA3 Q9Y6Q9 1/20 1.00
CYP2D6 P10635 1/20 0.66

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
SCHEMBL8903770 0.84 NCOA1 (0.71) NCOA1NCOA3CYP2D6
SCHEMBL9485648 0.84 NCOA1 (0.72) NCOA1NCOA3CYP2D6
SCHEMBL8591506 0.83 NCOA1 (0.71) NCOA1NCOA3CYP2D6
SCHEMBL11002112 0.83 NCOA1 (0.71) NCOA1NCOA3CYP2D6
SCHEMBL8588709 0.83 CYP2D6 (0.77) NCOA1NCOA3CYP2D6
SCHEMBL30966673 0.83 NCOA1 (0.70) NCOA1NCOA3CYP2D6
SCHEMBL6051207 0.83 NCOA1 (0.70) NCOA1NCOA3CYP2D6
SCHEMBL3059317 0.83 NCOA1 (0.70) NCOA1NCOA3CYP2D6
SCHEMBL9485926 0.82 NCOA1 (0.70) NCOA1NCOA3CYP2D6
SCHEMBL9485616 0.82 CYP2D6 (0.82) NCOA1NCOA3CYP2D6

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2001509149-A 2001-07-10 JP claimed
EP-0961772-A1 2,4-DIAMINOPYRIMIDINE COMPOUNDS AS ANTI-CANCER AGENTS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1999-12-08 EP claimed
WO-1998030550-A1 2,4-DIAMINOPYRIMIDINE COMPOUNDS AS ANTI-CANCER AGENTS BTG INTERNATIONAL LIMITED (GB) 1998-07-16 WO claimed
WO-2023081141-A1 THYMIDYLATE SYNTHASE INHIBITORS AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-05-11 WO disclosed
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists KOSOGOF CHRISTI (US) 2005-08-04 US disclosed
US-5627189-A Insecticidal 5-substituted-2,4-diaminopyrimidine derivatives FMC CORPORATION (US) 1997-05-06 US disclosed
US-5618928-A USEFUL IN TREATMENT OF PNEUMOCYSTIS CARINII INFECTIONS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1997-04-08 US disclosed
US-5587379-A CONTROLLING INSECTS IN AGRICULTURAL CROPS FMC CORPORATION (US) 1996-12-24 US disclosed
US-5521192-A TOBACCO BUDWORM, CABBAGE LOOPER, BEET ARMYWORM FMC CORPORATION (US) 1996-05-28 US disclosed
EP-0671881-A4 INSECTICIDAL 5-SUBSTITUTED-2,4-DIAMINOPYRIMIDINE DERIVATIVES. FMC CORP (US) 1996-03-27 EP disclosed
EP-0671881-A1 INSECTICIDAL 5-SUBSTITUTED-2,4-DIAMINOPYRIMIDINE DERIVATIVES FMC CORPORATION (US) 1995-09-20 EP disclosed
WO-1994012032-A1 INSECTICIDAL 5-SUBSTITUTED-2,4-DIAMINOPYRIMIDINE DERIVATIVES FMC CORPORATION (US) 1994-06-09 WO disclosed
EP-0290558-B1 ANTIFOLATE AGENTS BTG INTERNATIONAL LIMITED (GB) 1993-06-16 EP disclosed
US-4992444-A Antitumor agents, skin disorders BRITISH TECHNOLOGY GROUP LIMITED (GB) 1991-02-12 US disclosed
EP-0290558-A1 ANTIFOLATE AGENTS. STEVENS MALCOLM FRANCIS GRAHAM (GB) 1988-11-17 EP disclosed
WO-1988004293-A1 ANTIFOLATE AGENTS STEVENS MALCOLM FRANCIS GRAHAM (GB) 1988-06-16 WO disclosed
EP-0147443-A1 PYRIMIDINE DERIVATIVES Aston Molecules Limited (GB) 1985-07-10 EP disclosed
WO-1984004746-A1 PYRIMIDINE DERIVATIVES UNIV BIRMINGHAM (GB) 1984-12-06 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 (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-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 NCOA1 1701/4885NCOA3 2738/4885CYP2D6 1209/4885

“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.