SCHEMBL4521438

SCHEMBL4521438

Cc1cc(Nc2nc(N3CC4CCC3C4)nc3ncccc23)[nH]n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 1/20 0.40
▸ GRM4 Q14833 5/20 0.35
▸ TYK2 P29597 8/20 0.34
▸ JAK3 P52333 8/20 0.34
▸ JAK2 O60674 7/20 0.34
▸ JAK1 P23458 6/20 0.34
▸ MAP3K12 Q12852 1/20 0.33
▸ PAK4 O96013 1/20 0.32
▸ PAK1 Q13153 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ PRKCQ Q04759 1/20 0.32
▸ PRKCD Q05655 1/20 0.32
▸ INSR P06213 1/20 0.31
▸ NPM1 P06748 1/20 0.31
▸ ALK Q9UM73 1/20 0.31

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
SCHEMBL4524538 0.85 IGF1R (0.50) IGF1RTYK2JAK3JAK2JAK1
SCHEMBL4524542 0.85 IGF1R (0.50) IGF1RTYK2JAK3JAK2JAK1
SCHEMBL4524529 0.82 JAK3 (0.34) GRM4TYK2JAK3JAK2JAK1
SCHEMBL4521409 0.81 BTK (0.39) TYK2JAK3JAK2JAK1MAP3K12
SCHEMBL4515702 0.80 PRKCQ (0.34) GRM4TYK2JAK3JAK2HCRTR1
SCHEMBL5314611 0.79 PAK4 (0.34) PAK4PAK1PRKCQPRKCD
SCHEMBL4529942 0.79 PAK4 (0.39) IGF1RPAK4PAK1PRKCQPRKCD
SCHEMBL4531067 0.79 PAK4 (0.37) PAK4PAK1PRKCQPRKCD
SCHEMBL4521856 0.79 PIN1 (0.40) IGF1RTYK2JAK3JAK2JAK1
SCHEMBL4521530 0.78 CCR4 (0.36) GRM4PAK4PAK1PRKCQPRKCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831216-A2 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2007-09-12 — — EP claimed
WO-2006067614-A2 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2006-06-29 — — WO claimed
US-20090281073-A1 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS BHATTACHARYA SAMIT KUMAR 2009-11-12 — — US disclosed
EP-1831216-A2 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2007-09-12 — — EP disclosed
WO-2006067614-A2 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2006-06-29 — — 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-20090281073-A1 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS CCNY, TP53, CCNE1 IGF1R 958/4885GRM4 4846/4885TYK2 3438/4885

“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.

Send feedback