SCHEMBL13596802

SCHEMBL13596802

O=C1NC(=O)C(c2c[nH]c3ncccc23)=C1c1c[nH]c2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 7/20 0.72
CDK4 P11802 3/20 0.72
CCND1 P24385 3/20 0.72
CDK2 P24941 3/20 0.72
PIM1 P11309 2/20 0.72
PRKCA P17252 2/20 0.72
CCNE2 O96020 2/20 0.72
PRKACA P17612 2/20 0.72
PRKACG P22612 2/20 0.72
PRKACB P22694 2/20 0.72
CCNE1 P24864 2/20 0.72
CAMK2D Q13557 2/20 0.72
ABL1 P00519 2/20 0.72
PRKD3 O94806 1/20 0.72
CCNB2 O95067 1/20 0.72
PRKCG P05129 1/20 0.72
CDK1 P06493 1/20 0.72
CCNB1 P14635 1/20 0.72
PRKCH P24723 1/20 0.72
PRKCI P41743 1/20 0.72

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
SCHEMBL16705131 0.91 FLT3 (0.67) PRKCBCDK4CCND1CDK2PIM1
Ro-316233 SCHEMBL624896 0.85 PRKCB (1.00) PRKCBCDK4CCND1CDK2PIM1
Ro-316233 SCHEMBL29373011 0.85 PRKCB (1.00) PRKCBCDK4CCND1CDK2PIM1
SCHEMBL5879226 0.82 FLT3 (0.57) PRKCBCDK4CCND1CDK2PIM1
SCHEMBL5230929 0.81 PRKCB (0.72) PRKCBCDK4CCND1CDK2PIM1
SCHEMBL29541048 0.80 FLT3 (0.58) PRKCBCDK4CCND1CDK2PIM1
SCHEMBL3148490 0.78 PRKCB (0.84) PRKCBCDK4CCND1CDK2PIM1
SCHEMBL13917970 0.78 PRKCB (0.78) PRKCBCDK4CCND1CDK2PIM1
SCHEMBL19216935 0.76 KDR (0.60) PRKCBCDK4CCND1CDK2PIM1
SCHEMBL5328391 0.75 PRKCB (0.72) PRKCBCDK4CCND1CDK2PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 US disclosed
WO-2008016184-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-07 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-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF XDH, F7, CYP4X1 PRKCB 1622/4885CDK4 893/4885CCND1 932/4885

“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.