SCHEMBL6321069

SCHEMBL6321069

COc1cccc(Nc2ncc(-c3ccc4ncccc4c3)c(N)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.53
PIK3CG P48736 4/20 0.50
PIK3CA P42336 3/20 0.50
PIK3CB P42338 3/20 0.50
KDR P35968 2/20 0.48
SYK P43405 1/20 0.48
EGFR P00533 1/20 0.48
CDK1 P06493 1/20 0.48
USP2 O75604 4/20 0.46
CYP1A2 P05177 4/20 0.46
CLK4 Q9HAZ1 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
CDK5 Q00535 2/20 0.46
CDK2 P24941 2/20 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
SCHEMBL6319822 0.90 IGF1R (0.50) IGF1RKDRSYKCDK1MEN1
SCHEMBL6314422 0.88 IGF1R (0.60) IGF1RPIK3CGPIK3CAPIK3CBKDR
SCHEMBL6321411 0.86 NPC1 (0.49) IGF1RSYKEGFRMEN1KMT2A
SCHEMBL6314056 0.86 IGF1R (0.52) IGF1RPIK3CAKDRSYKMEN1
SCHEMBL6312065 0.84 MAPT (0.45) KDRSYKUSP2MEN1KMT2A
SCHEMBL6312654 0.84 CDK5 (0.46) KDRSYKCDK5CDK5R1DYRK1A
SCHEMBL6312589 0.84 IGF1R (0.59) IGF1RPIK3CGPIK3CAPIK3CBKDR
SCHEMBL6311534 0.83 NPC1 (0.46) IGF1RKDRSYKEGFRABCG2
SCHEMBL6318179 0.82 MERTK (0.46) PIK3CGEGFRCDK1MEN1KMT2A
SCHEMBL6319751 0.80 IGF1R (0.43) IGF1RSYKEGFRDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US claimed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US claimed

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-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT IGF1R 4054/4885PIK3CG 1480/4885PIK3CA 423/4885

“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.