SCHEMBL20536433

SCHEMBL20536433

CCCc1cc2c(NC3CCC(N)CC3)c(Br)cnc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 14/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ PIM1 P11309 1/20 0.33
▸ CCNB2 O95067 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CCNB1 P14635 1/20 0.32
▸ CCNB3 Q8WWL7 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ SMYD3 Q9H7B4 1/20 0.32
▸ CDK7 P50613 1/20 0.32
▸ CDK9 P50750 1/20 0.32

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
SCHEMBL21772947 1.00 MELK (0.37) MELKIRAK4PIM1CCNB2CDK1
SCHEMBL21788972 0.81 MELK (0.45) MELKADORA1
SCHEMBL21788758 0.81 MELK (0.45) MELKCDK7CDK9
SCHEMBL21788756 0.80 MELK (0.36) MELKIRAK4CCNB2CDK1CCNB1
SCHEMBL21788760 0.79 TYRO3 (0.41) MELKPIM1CCNB2CDK1CCNB1
SCHEMBL21788954 0.79 IRAK1 (0.46) IRAK4PIM1
SCHEMBL21788747 0.79 MERTK (0.50) MELKIRAK4PIM1CCNB2CDK1
SCHEMBL21788757 0.79 TYRO3 (0.40) MELKIRAK4CCNB2CDK1CCNB1
SCHEMBL21788755 0.79 TYRO3 (0.42) MELKIRAK4CCNB2CDK1CCNB1
SCHEMBL21788963 0.79 TYRO3 (0.42) MELKCCNB2CDK1CCNB1CCNB3

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-20200071326-A1 TAM KINASE INHIBITORS SYROS PHARMACEUTICALS INC (US) 2020-03-05 — — US disclosed
WO-2018191587-A1 TAM KINASE INHIBITORS SYROS PHARMACEUTICALS, INC. (US) 2018-10-18 — — 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-20200071326-A1 TAM KINASE INHIBITORS PIK3CA, MAP3K1, MAP3K5 MELK 271/4885IRAK4 345/4885PIM1 400/4885

“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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