SCHEMBL2931320

SCHEMBL2931320

Cc1cccnc1Nc1nc2ccc(N3CCNCC3)cc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.50
OPRL1 P41146 1/20 0.46
CBFB Q13951 1/20 0.42
LCK P06239 2/20 0.42
ADRB1 P08588 2/20 0.41
TBK1 Q9UHD2 2/20 0.40
IKBKE Q14164 1/20 0.40
PDE5A O76074 1/20 0.39
FGFR1 P11362 1/20 0.39
FLT1 P17948 1/20 0.39
CCNK O75909 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCND3 P30281 1/20 0.39
CDK9 P50750 1/20 0.39
CDK6 Q00534 1/20 0.39
DYRK1A Q13627 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 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
SCHEMBL2930571 0.79 OPRL1 (0.38) KCNH2OPRL1ADRB1TBK1IKBKE
SCHEMBL17592747 0.74 OPRL1 (0.60) KCNH2OPRL1ADRB1FGFR1HTR1A
SCHEMBL2926135 0.73 HSP90AA1 (0.53)
SCHEMBL2931162 0.73 SMN1; SMN2 (0.44) LCKDYRK1ADYRK1B
SCHEMBL15065927 0.72 MAPT (0.41) LCKADRB1PDE5AFGFR1CCNK
SCHEMBL2924896 0.72 MAT2A (0.38)
SCHEMBL2931752 0.71 LMNA (0.39)
SCHEMBL2930795 0.71 PIK3CA (0.43) TBK1STAT3
SCHEMBL2418717 0.70 HTR3E (0.61) ADRB1HTR1AHTR7HTR3EHTR3B
SCHEMBL2929641 0.69 KCNH2 (0.41) KCNH2

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-7820821-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors TRANSTECH PHARMA, INC. (US) 2010-06-17 US disclosed
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 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 (2 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-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors AURKC, AURKA, AURKB KCNH2 1911/4885OPRL1 4864/4885CBFB 2329/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB KCNH2 1911/4885OPRL1 4864/4885CBFB 2329/4885

“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.