SCHEMBL12590786

SCHEMBL12590786

COC(=O)c1ncnc2[nH]cc(C#N)c12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 2/20 0.51
TAB1 Q15750 2/20 0.51
CHUK O15111 3/20 0.48
HSP90AB1 P08238 1/20 0.45
ROCK2 O75116 3/20 0.43
ROCK1 Q13464 2/20 0.43
CDC42BPA Q5VT25 2/20 0.43
CDC42BPB Q9Y5S2 2/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
LRRK2 Q5S007 5/20 0.42
JAK3 P52333 3/20 0.41
LIMK1 P53667 1/20 0.41
LIMK2 P53671 1/20 0.41
AKT1 P31749 2/20 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
SCHEMBL12590787 0.84 CHUK (0.48) MAP3K7TAB1CHUKHSP90AB1ROCK2
SCHEMBL21818811 0.79 LIMK1 (0.47) ROCK2JAK3LIMK1LIMK2AKT1
SCHEMBL31133380 0.79 LIMK1 (0.47) ROCK2JAK3LIMK1LIMK2AKT1
SCHEMBL12590782 0.78 NOTUM (0.49) MAP3K7TAB1JAK3AKT1
SCHEMBL14649086 0.73 MAP3K7 (0.56) MAP3K7TAB1CHUKHSP90AB1ROCK2
Toyocamycin Aglycone SCHEMBL7698538 0.72 MAP3K7 (0.54) MAP3K7TAB1CHUKHSP90AB1ROCK2
SCHEMBL27226221 0.71 GAA (0.40)
SCHEMBL19185239 0.71 MAP3K7 (0.54) MAP3K7TAB1CHUKHSP90AB1ROCK2
SCHEMBL154683 0.70 CHUK (0.61) MAP3K7TAB1CHUKHSP90AB1ROCK2
SCHEMBL17401156 0.70 MAP3K7 (0.56) MAP3K7TAB1CHUKHSP90AB1ROCK2

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
CN-113354650-B Preparation method of 4-chloro-7H-pyrrolo [2,3-d ] pyrimidine-5-carbonitrile 安徽大学 2023-12-19 CN disclosed
CN-113354650-A Preparation method of 4-chloro-7H-pyrrolo [2,3-d ] pyrimidine-5-carbonitrile 安徽大学 2021-09-07 CN disclosed
US-7968536-B2 Heterocyclic compounds useful as RAF kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-06-28 US disclosed
US-7968536-B2 Heterocyclic compounds useful as RAF kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-06-28 US disclosed
WO-2009006404-A2 HETEROCYCLIC COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2009-01-08 WO disclosed
US-20090005359-A1 Heterocyclic Compounds Useful as RAF Kinase Inhibitors SUNESIS PHARMACEUTICALS, INC (US) 2009-01-01 US disclosed
US-20090005359-A1 Heterocyclic Compounds Useful as RAF Kinase Inhibitors SUNESIS PHARMACEUTICALS, INC (US) 2009-01-01 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-20090005359-A1 Heterocyclic Compounds Useful as RAF Kinase Inhibitors BRAF, RAF1, ARAF MAP3K7 27/4885TAB1 637/4885CHUK 104/4885

“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.