SCHEMBL473450

SCHEMBL473450

Fc1cnc(Cl)nc1-n1nnc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA5 O75582 2/20 0.51
▸ MAPT P10636 1/20 0.48
▸ RAB9A P51151 2/20 0.44
▸ ESR1 P03372 1/20 0.44
▸ MKNK2 Q9HBH9 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ KCNMA1 Q12791 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ RPS6KA4 O75676 1/20 0.38
▸ GRM2 Q14416 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MGAM O43451 1/20 0.38
▸ AMY1A P0DUB6 1/20 0.38
▸ SI P14410 1/20 0.38
▸ MGAM2 Q2M2H8 1/20 0.38

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
SCHEMBL473534 0.85 MKNK2 (0.56) RPS6KA5MAPTRAB9AESR1MKNK2
SCHEMBL473473 0.83 RPS6KA5 (0.51) RPS6KA5MAPTRAB9AESR1MKNK2
SCHEMBL16140670 0.75 RPS6KA5 (0.67) RPS6KA5MAPTMKNK2RPS6KA4MAPK1
SCHEMBL473484 0.73 MAPK8 (0.64) MKNK2ALDH1A1SMN1; SMN2KMT2ACYP2C9
SCHEMBL25881618 0.72 RAB9A (0.42) RAB9AMKNK2ALDH1A1LMNASMN1; SMN2
SCHEMBL473490 0.72 RAB9A (0.59) RPS6KA5MAPTRAB9AMKNK2ALDH1A1
SCHEMBL5090434 0.71 RPS6KA5 (0.68) RPS6KA5MAPTMKNK2SMN1; SMN2KMT2A
SCHEMBL24054006 0.69 SMN1; SMN2 (0.48) RPS6KA5MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL30166321 0.69 SMN1; SMN2 (0.48) RPS6KA5MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL25022126 0.69 GAA (0.49) MAPTRAB9AESR1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962622-B2 Benzotriazole kinase modulators ROCHE PALO ALTO LLC (US) 2015-02-24 — — US disclosed
WO-2014155300-A2 SUBSTITUED PYRIMIDINE AMINE DERIVATIVES AS TAK-1 INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-10-02 — — WO disclosed
EP-2066319-B1 BENZOTRIAZOLE KINASE MODULATORS HOFFMANN LA ROCHE (CH) 2012-02-01 — — EP disclosed
CN-101511359-A Benzotriazole kinase modulators HOFFMANN LA ROCHE (CH) 2009-08-19 — — CN disclosed
EP-2066319-A1 BENZOTRIAZOLE KINASE MODULATORS F. Hoffmann-Roche AG (CH) 2009-06-10 — — EP disclosed
US-20080103142-A1 Benzotriazole kinase modulators ROCHE PALO ALTO LLC 2008-05-01 — — US disclosed
WO-2008028860-A1 BENZOTRIAZOLE KINASE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-13 — — 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-20080103142-A1 Benzotriazole kinase modulators CDK1, CDK3, MAPK1 RPS6KA5 344/4885MAPT 674/4885RAB9A 3749/4885

“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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