SCHEMBL7665116

SCHEMBL7665116

C#Cc1cccc(Nc2ncnc3[nH]cc(-c4cccs4)c23)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.46
STK4 Q13043 1/20 0.46
STK3 Q13188 1/20 0.46
LRRK2 Q5S007 2/20 0.46
BRAF P15056 5/20 0.44
TNNI3K Q59H18 5/20 0.44
KDR P35968 1/20 0.44
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44
FBP1 P09467 2/20 0.43
GAK O14976 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
DYRK1A Q13627 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
PIM1 P11309 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
PIM2 Q9P1W9 1/20 0.42

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
SCHEMBL7663354 0.80 BRAF (0.63) EGFRSTK4STK3LRRK2BRAF
SCHEMBL7663774 0.80 BRAF (0.53) EGFRSTK4STK3LRRK2BRAF
SCHEMBL7668798 0.80 BRAF (0.53) EGFRSTK4STK3LRRK2BRAF
SCHEMBL7016150 0.80 BRAF (0.58) EGFRLRRK2BRAFTNNI3KKDR
SCHEMBL7019299 0.79 EGFR (0.51) EGFRLRRK2BRAFTNNI3KKDR
SCHEMBL7022596 0.79 BRAF (0.60) EGFRLRRK2BRAFTNNI3KKDR
SCHEMBL3535063 0.79 BRAF (0.59) EGFRLRRK2BRAFTNNI3KKDR
Hydrochloric Acid SCHEMBL7017702 0.78 BRAF (0.59) EGFRLRRK2BRAFTNNI3KKDR
SCHEMBL7663493 0.78 BRAF (0.66) EGFRLRRK2BRAFTNNI3KFBP1
SCHEMBL7024286 0.77 EGFR (0.53) EGFRLRRK2KDRAURKARPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020045630-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES ARNOLD LEE DANIEL (US) 2002-04-18 US claimed
EP-0946554-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES PFIZER INC. (US) 1999-10-06 EP claimed
WO-1998023613-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES PFIZER INC. (US) 1998-06-04 WO claimed
US-6413971-B1 ANTIPROLIFERATIVE, -CARCINOGENIC, -TUMOR AND -DIABETIC AGENTS; BINDING TO OR MODULATING THE HUMAN KINASE INSERT-DOMAIN-CONTAINING RECEPTOR (KDR) OR THE MURINE FETAL LIVER KINASE 1 (FLK-1) RECEPTOR; VASCULOGENESIS; ANGIOGENESIS PFIZER INC 2002-07-02 US disclosed
US-20020045630-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES ARNOLD LEE DANIEL (US) 2002-04-18 US disclosed
EP-0946554-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES PFIZER INC. (US) 1999-10-06 EP disclosed
WO-1998023613-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES PFIZER INC. (US) 1998-06-04 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-20020045630-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES REV1, DPYD, CCNA1 EGFR 565/4885STK4 1504/4885STK3 1485/4885

“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.