SCHEMBL14949347

SCHEMBL14949347

COc1cc(Oc2cccc(-c3nnc(Nc4cccc(C)c4)[nH]3)c2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
KDR P35968 5/20 0.37
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
FLT1 P17948 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
SYK P43405 1/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
AURKA O14965 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
SCHEMBL14949198 0.92 KDR (0.39) KMT2AKCNK3KCNK9KDRCDK5
SCHEMBL14949365 0.90 ABL1 (0.37) KMT2AKDRFLT1ABL1BCR
SCHEMBL14949358 0.88 KDR (0.38) KMT2AKDRABL1MEN1MAPT
SCHEMBL14949311 0.88 CDK8 (0.40) KDRFLT1ABL1BCREGFR
SCHEMBL12336537 0.88 BRAF (0.46) KDRGSK3BABL1SYKMAPT
SCHEMBL14949317 0.87 KMT2A (0.40) KMT2AKDRFLT1ABL1BCR
SCHEMBL14949339 0.86 SYK (0.38) KMT2AKDRCCNB2CDK1CCNB1
SCHEMBL14949322 0.85 ABL1 (0.38) KMT2AKDRCCNB2CDK1CCNB1
SCHEMBL14949309 0.83 ROCK1 (0.40) KMT2AKDRFLT1ABL1BCR
SCHEMBL14949337 0.82 ABL1 (0.35) KMT2AKDRFLT1ABL1BCR

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-20160096824-A1 Heterocyclic Compounds Useful for Kinase Inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. 2016-04-07 US disclosed
US-9212151-B2 Heterocyclic compounds useful for kinase inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. (US) 2015-12-15 US disclosed
US-20150158828-A1 Heterocyclic Compounds Useful for Kinase Inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. 2015-06-11 US disclosed
US-8957216-B2 Heterocyclic compounds useful for kinase inhibition AMITECH THERAPEUTIC SOLUTIONS, INC. (US) 2015-02-17 US disclosed
US-20130123284-A1 HETEROCYCLIC COMPOUNDS USEFUL FOR KINASE INHIBITION AMITECH THERAPEUTIC SOLUTIONS INC (US) 2013-05-16 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-20130123284-A1 HETEROCYCLIC COMPOUNDS USEFUL FOR KINASE INHIBITION MAP4K2, MAP3K20, MAP3K19 KMT2A 900/4885KCNK3 625/4885KCNK9 750/4885
US-20150158828-A1 Heterocyclic Compounds Useful for Kinase Inhibition MAP4K2, MAP3K20, MAP3K19 KMT2A 900/4885KCNK3 625/4885KCNK9 750/4885
US-20160096824-A1 Heterocyclic Compounds Useful for Kinase Inhibition MAP4K2, MAP3K20, MAP3K19 KMT2A 900/4885KCNK3 625/4885KCNK9 750/4885

“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.