SCHEMBL8963251

SCHEMBL8963251

O=C(c1cccnc1)c1cccc(N2CCCN(C(=O)Oc3ccccc3Cl)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
DGAT1 O75907 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
PRKCQ Q04759 1/20 0.40
HSD17B14 Q9BPX1 1/20 0.39
TP53 P04637 3/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 2/20 0.38
PKM P14618 1/20 0.38
POLB P06746 1/20 0.38
MDM2 Q00987 1/20 0.38
TRPA1 O75762 2/20 0.38
HSD17B10 Q99714 2/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 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
SCHEMBL8963867 0.87 MEN1 (0.46) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL8963170 0.84 PRKCQ (0.46) SMN1; SMN2KDM4EALDH1A1PRKCQHSD17B14
SCHEMBL8963284 0.83 KMT2A (0.46) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL8969641 0.82 PRKCQ (0.62) KDM4EALDH1A1PRKCQHSD17B10HPGD
SCHEMBL8963376 0.82 PRKCQ (0.45) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL8963346 0.82 ALDH1A1 (0.56) MEN1KMT2AMAPTDGAT1SMN1; SMN2
SCHEMBL8963556 0.82 ALDH1A1 (0.57) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL8963114 0.81 CKS1B (0.55) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL12751972 0.81 ALDH1A1 (0.41) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL8963416 0.81 KDM4E (0.46) MEN1KMT2AMAPTSMN1; SMN2KDM4E

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 5 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

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 MEN1 1427/4885KMT2A 1042/4885MAPT 770/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 MEN1 1427/4885KMT2A 1042/4885MAPT 770/4885
US-20110077237-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 MEN1 1427/4885KMT2A 1042/4885MAPT 770/4885

“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.