SCHEMBL12137333

SCHEMBL12137333

Cc1ccnc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)c1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 20/20 0.73
▸ MAPK3 P27361 3/20 0.73
▸ MAPK1 P28482 3/20 0.73
▸ KCNH2 Q12809 3/20 0.73
▸ AURKB Q96GD4 3/20 0.73
▸ GP6 Q9HCN6 1/20 0.73

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
SCHEMBL29357565 0.85 SYK (1.00) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL2386517 0.85 SYK (1.00) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL30240895 0.85 SYK (1.00) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL2386521 0.85 SYK (1.00) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL16195116 0.84 SYK (1.00) SYKMAPK3MAPK1KCNH2AURKB
Hydrochloric Acid SCHEMBL29686198 0.84 SYK (0.98) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL1353793 0.83 SYK (1.00) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL1353792 0.83 SYK (1.00) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL1353472 0.83 SYK (1.00) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL1353471 0.83 SYK (1.00) SYKMAPK3MAPK1KCNH2AURKB

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-8063058-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2011-11-22 — — US disclosed
US-20100048567-A1 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS INC. (US) 2010-02-25 — — 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-20100048567-A1 Inhibitors of syk and JAK protein kinases SYK, BTK, JAK1 SYK 1/4885MAPK3 406/4885MAPK1 353/4885

“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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