SCHEMBL8965504

SCHEMBL8965504

Nc1ncc(-c2c[nH]c3ccccc23)cc1C(=O)c1cncc(N2CCCNCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 8/20 0.49
PIM1 P11309 6/20 0.49
PIM3 Q86V86 6/20 0.49
IKBKE Q14164 2/20 0.49
TBK1 Q9UHD2 2/20 0.49
PRKCA P17252 2/20 0.48
PRKCQ Q04759 2/20 0.48
PRKCD Q05655 2/20 0.48
BMPR1B O00238 1/20 0.40
BMPR1A P36894 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVRL1 P37023 1/20 0.40
ACVR1 Q04771 1/20 0.40
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
ATR Q13535 2/20 0.39
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
PRKCI P41743 1/20 0.37

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
SCHEMBL8965159 0.91 PRKCQ (0.60) PIM2PIM1PIM3IKBKETBK1
SCHEMBL8965416 0.88 PRKCQ (0.57) IKBKETBK1PRKCAPRKCQPRKCD
SCHEMBL8970458 0.83 IKBKE (0.51) PIM2PIM1PIM3IKBKETBK1
SCHEMBL8964883 0.78 PRKCA (0.53) PIM2PIM1PIM3IKBKETBK1
SCHEMBL8964915 0.77 PRKCQ (0.77) PRKCAPRKCQPRKCD
SCHEMBL15930672 0.76 PRKCQ (0.52) PIM2PIM1PIM3PRKCAPRKCQ
SCHEMBL8965351 0.76 PRKCQ (0.59) IKBKETBK1PRKCAPRKCQPRKCD
SCHEMBL9007436 0.76 PRKCQ (0.69) PIM2IKBKETBK1PRKCAPRKCQ
SCHEMBL9011731 0.76 PRKCQ (0.51) PIM2PIM1PIM3IKBKETBK1
SCHEMBL8970132 0.76 PRKCQ (0.64) PIM2PIM1PIM3IKBKETBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-8741931-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2014-06-03 US disclosed
US-8741931-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2014-06-03 US disclosed
US-20120214799-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-23 US disclosed
US-20120214799-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-23 US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20090124602-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 US disclosed
US-20090124602-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 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 (3 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-20140221334-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PIM2 415/4885PIM1 425/4885PIM3 442/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PIM2 415/4885PIM1 425/4885PIM3 442/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PIM2 415/4885PIM1 425/4885PIM3 442/4885

“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.