SCHEMBL4521856

SCHEMBL4521856

COCC(=O)N1C[C@@H]2C[C@@H]1CN2c1nc(Nc2cc(C)n[nH]2)c2cccnc2n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 1/20 0.40
▸ MAP3K12 Q12852 1/20 0.38
▸ JAK3 P52333 3/20 0.37
▸ BTK Q06187 2/20 0.37
▸ SLC6A7 Q99884 1/20 0.35
▸ CHRM1 P11229 1/20 0.34
▸ CCR4 P51679 3/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ LTA4H P09960 1/20 0.33
▸ JAK1 P23458 4/20 0.32
▸ TYK2 P29597 4/20 0.32
▸ JAK2 O60674 3/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ APP P05067 1/20 0.32
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 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
SCHEMBL4521409 0.90 BTK (0.39) PIN1MAP3K12JAK3BTKSLC6A7
SCHEMBL4520280 0.85 MAP3K12 (0.38) PIN1MAP3K12JAK3BTK
SCHEMBL4524529 0.82 JAK3 (0.34) PIN1JAK3CCR4JAK1TYK2
SCHEMBL4512965 0.80 AXL (0.35) CCR4IGF1RAPPHCRTR1HCRTR2
SCHEMBL4512389 0.79 AXL (0.36) CCR4IGF1RAPPHCRTR1HCRTR2
SCHEMBL4521438 0.79 IGF1R (0.40) MAP3K12JAK3IGF1RJAK1TYK2
SCHEMBL4512984 0.78 HSD17B10 (0.49) —
SCHEMBL4535405 0.76 AURKA (0.37) PIN1JAK3BTKPARP1
SCHEMBL4521519 0.76 CCR4 (0.36) CCR4IGF1RAPPHCRTR1HCRTR2
SCHEMBL4515702 0.76 PRKCQ (0.34) JAK3CCR4TYK2JAK2APP

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 PIN1 1927/4885MAP3K12 3670/4885JAK3 2725/4885

“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.

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