SCHEMBL6313704

SCHEMBL6313704

COc1cc(-c2cnc(N)nc2Nc2cnc3ccccc3c2)ccc1N1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.59
PIK3CA P42336 16/20 0.55
TNIK Q9UKE5 2/20 0.44
KCNH2 Q12809 1/20 0.43
S1PR1 P21453 1/20 0.43

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
Ammonia Solution, Strong SCHEMBL6313707 0.83 ADORA1 (0.50) IGF1RPIK3CAS1PR1
SCHEMBL6319164 0.82 PIK3CA (0.58) IGF1RPIK3CA
SCHEMBL6315310 0.81 ADORA1 (0.45) IGF1RPIK3CA
SCHEMBL5885193 0.81 ADORA1 (0.43) IGF1RPIK3CATNIKKCNH2S1PR1
SCHEMBL6317900 0.78 IMPDH2 (0.52)
SCHEMBL6313033 0.77 ALPL (0.42) IGF1RPIK3CA
SCHEMBL6312312 0.77 IGF1R (0.49) IGF1RPIK3CAKCNH2
SCHEMBL6313126 0.77 HTR3A (0.52) IGF1RPIK3CA
SCHEMBL31378744 0.76 IGF1R (0.73) IGF1RPIK3CA
SCHEMBL6318862 0.75 DHFR (0.56) IGF1RPIK3CA

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 4 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
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US disclosed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US 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-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT IGF1R 4054/4885PIK3CA 423/4885TNIK 3022/4885

“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.