SCHEMBL8963233

SCHEMBL8963233

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PRKCQ Q04759 4/20 0.40
HSD17B14 Q9BPX1 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GPR119 Q8TDV5 1/20 0.37
PRKCA P17252 2/20 0.36
PRKCD Q05655 2/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
SLC6A15 Q9H2J7 1/20 0.36
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL8963376 0.89 PRKCQ (0.45) LMNAMAPK1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL12751972 0.85 ALDH1A1 (0.41) LMNAALDH1A1SMN1; SMN2KDM4EPRKCQ
SCHEMBL8963253 0.85 PRKCQ (0.42) ALDH1A1SMN1; SMN2KDM4EPRKCQHSD17B14
SCHEMBL8963377 0.85 PRKCQ (0.42) ALDH1A1SMN1; SMN2KDM4EPRKCQHSD17B14
SCHEMBL8963170 0.85 PRKCQ (0.46) MAPK1ALDH1A1SMN1; SMN2KDM4EPRKCQ
SCHEMBL8963114 0.82 CKS1B (0.55) ALDH1A1SMN1; SMN2KDM4EPRKCQHSD17B14
SCHEMBL8963867 0.82 MEN1 (0.46) MAPK1ALDH1A1SMN1; SMN2KDM4EPRKCQ
SCHEMBL9010356 0.82 PRKCQ (0.64) RAB9ALMNAMAPK1PRKCQPRKCA
SCHEMBL8963072 0.81 PRKCQ (0.48) MAPK1ALDH1A1SMN1; SMN2KDM4EPRKCQ
SCHEMBL15930656 0.81 PRKCQ (0.43) MAPK1ALDH1A1SMN1; SMN2KDM4EPRKCQ

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 4 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

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-20140221334-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 RAB9A 1636/4885LMNA 2030/4885MAPK1 68/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 RAB9A 1636/4885LMNA 2030/4885MAPK1 68/4885

“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.