SCHEMBL7022803

SCHEMBL7022803

CC(=O)n1ccc2c(Nc3cccc(C)c3)ncnc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
LMNA P02545 1/20 0.58
PIP4K2A P48426 3/20 0.57
PIK3CG P48736 2/20 0.57
EGFR P00533 8/20 0.54
TP53 P04637 1/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPT P10636 3/20 0.54
HTT P42858 1/20 0.53
HIF1A Q16665 1/20 0.53
ERBB2 P04626 4/20 0.51
MAPK1 P28482 1/20 0.51
MEN1 O00255 2/20 0.50
NPC1 O15118 2/20 0.50
GAA P10253 2/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
Hydrochloric Acid SCHEMBL7026602 0.99 KDM4E (0.57) KDM4ELMNAPIP4K2APIK3CGEGFR
SCHEMBL4415185 0.90 LMNA (0.58) KDM4ELMNAPIP4K2APIK3CGEGFR
SCHEMBL4412294 0.79 PIP4K2A (0.69) KDM4ELMNAPIP4K2APIK3CGEGFR
SCHEMBL4412416 0.77 ALDH1A1 (0.54) KDM4ELMNAPIP4K2APIK3CGEGFR
SCHEMBL4427009 0.76 AURKA (0.58) KDM4EEGFR
SCHEMBL4421383 0.76 RAB9A (0.57) KDM4ELMNAPIP4K2APIK3CGEGFR
SCHEMBL4414264 0.76 MAPT (0.57) KDM4ELMNAEGFRTP53ALDH1A1
SCHEMBL4416404 0.75 ABCG2 (0.57) KDM4ELMNAPIP4K2APIK3CGEGFR
SCHEMBL4415661 0.75 EGFR (0.52) KDM4ELMNAPIP4K2APIK3CGEGFR
SCHEMBL4414170 0.74 ALDH1A1 (0.54) KDM4ELMNAPIP4K2APIK3CGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0831829-B1 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER (US) 2003-08-20 EP claimed
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
EP-0831829-B1 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER (US) 2003-08-20 EP disclosed
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-6395733-B1 ANTICANCER AGENTS; ANTIPROLIFERATIVE AGENTS PFIZER INC 2002-05-28 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
EP-0831829-A4 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER (US) 1998-11-25 EP disclosed
WO-1998023613-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES PFIZER INC. (US) 1998-06-04 WO disclosed
EP-0831829-A1 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER INC. (US) 1998-04-01 EP disclosed
WO-1996040142-A1 HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES PFIZER INC. (US) 1996-12-19 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 KDM4E 3236/4885LMNA 2672/4885PIP4K2A 921/4885

“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.