SCHEMBL7668798

SCHEMBL7668798

C#Cc1cccc(Nc2ncnc3[nH]cc(-c4ccc(C)cc4)c23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.53
TNNI3K Q59H18 8/20 0.53
LRRK2 Q5S007 2/20 0.51
F9 P00740 1/20 0.47
EGFR P00533 4/20 0.47
JAK3 P52333 1/20 0.46
FGFR1 P11362 1/20 0.46
CDC7 O00311 2/20 0.46
GAK O14976 1/20 0.46
ALDH1A1 P00352 1/20 0.46
FBP1 P09467 1/20 0.46
MAPT P10636 1/20 0.46
ROCK2 O75116 1/20 0.46
MAP4K4 O95819 1/20 0.46
PIM1 P11309 1/20 0.46
PRKACA P17612 1/20 0.46
CDK2 P24941 1/20 0.46
GSK3B P49841 1/20 0.46
HIPK2 Q9H2X6 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46

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 0.89 BRAF (0.63) BRAFTNNI3KLRRK2EGFRFGFR1
SCHEMBL7663493 0.89 BRAF (0.66) BRAFTNNI3KLRRK2EGFRGAK
SCHEMBL7663774 0.85 BRAF (0.53) BRAFTNNI3KLRRK2EGFRJAK3
SCHEMBL7022596 0.84 BRAF (0.60) BRAFTNNI3KLRRK2EGFRJAK3
Hydrochloric Acid SCHEMBL7017702 0.83 BRAF (0.59) BRAFTNNI3KLRRK2EGFRJAK3
SCHEMBL7016150 0.81 BRAF (0.58) BRAFTNNI3KLRRK2EGFRJAK3
SCHEMBL7670203 0.80 LRRK2 (0.51) BRAFTNNI3KLRRK2EGFRCDC7
SCHEMBL7665116 0.80 EGFR (0.46) BRAFTNNI3KLRRK2EGFRGAK
SCHEMBL7019299 0.80 EGFR (0.51) BRAFTNNI3KLRRK2EGFRJAK3
SCHEMBL3535063 0.80 BRAF (0.59) BRAFTNNI3KLRRK2EGFRJAK3

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 9 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
CN-1237177-A Fused bicyclic pyrimidine derivatives PFIZER (US) 1999-12-01 CN 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
CN-1237177-A Fused bicyclic pyrimidine derivatives PFIZER (US) 1999-12-01 CN 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 BRAF 162/4885TNNI3K 3157/4885LRRK2 2034/4885

“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.