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SCHEMBL8963549

SCHEMBL8963549

CC(C)(C)C(=O)N1CCCN(c2cccc(C(=O)c3cccnc3)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ REV1 Q9UBZ9 1/20 0.48
▸ PRKCQ Q04759 2/20 0.46
▸ CKS1B P61024 2/20 0.46
▸ SKP1 P63208 2/20 0.46
▸ SKP2 Q13309 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HSD17B14 Q9BPX1 2/20 0.43
▸ SMO Q99835 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ CYP3A5 P20815 1/20 0.40
▸ PRKCA P17252 1/20 0.40
▸ PRKCD Q05655 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PDK2 Q15119 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 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
SCHEMBL8963072 0.89 PRKCQ (0.48) PRKCQCKS1BSKP1SKP2ALDH1A1
SCHEMBL8963437 0.87 PRKCQ (0.44) PRKCQCKS1BSKP1SKP2ALDH1A1
SCHEMBL8963114 0.87 CKS1B (0.55) PRKCQCKS1BSKP1SKP2ALDH1A1
SCHEMBL8963489 0.86 CKS1B (0.47) PRKCQCKS1BSKP1SKP2ALDH1A1
SCHEMBL8963170 0.86 PRKCQ (0.46) PRKCQCKS1BSKP1SKP2ALDH1A1
SCHEMBL8963417 0.86 PRKCQ (0.46) PRKCQALDH1A1KDM4ESMN1; SMN2HSD17B14
SCHEMBL8963556 0.85 ALDH1A1 (0.57) PRKCQCKS1BSKP1SKP2ALDH1A1
SCHEMBL8964092 0.85 CKS1B (0.46) REV1PRKCQCKS1BSKP1SKP2
SCHEMBL8963377 0.85 PRKCQ (0.42) PRKCQCKS1BSKP1SKP2ALDH1A1
SCHEMBL8963416 0.84 KDM4E (0.46) PRKCQCKS1BSKP1SKP2ALDH1A1

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 6 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-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-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 — — US disclosed
US-20110077237-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-31 — — 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 (4 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 REV1 847/4885PRKCQ 38/4885CKS1B 137/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 REV1 847/4885PRKCQ 38/4885CKS1B 137/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 REV1 847/4885PRKCQ 38/4885CKS1B 137/4885
US-20110077237-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 REV1 847/4885PRKCQ 38/4885CKS1B 137/4885

“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.