SCHEMBL944352

SCHEMBL944352

O=C(Nc1cncnc1)c1cccc2cnoc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.48
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
GRM5 P41594 3/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
LCK P06239 2/20 0.39
KIT P10721 2/20 0.39
SRC P12931 2/20 0.39
MAPK14 Q16539 2/20 0.39
ABL1 P00519 2/20 0.39
KDR P35968 1/20 0.39
CYP11B2 P19099 1/20 0.39

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
SCHEMBL944788 0.72 PLK4 (0.47) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL31605561 0.72 LMNA (0.43) RAB9AKMT2AKDM4EMEN1ALDH1A1
SCHEMBL28522895 0.69 MEN1 (0.40) RAB9ANPC1KMT2AKDM4EMEN1
SCHEMBL4243217 0.65 BCAT2 (1.00) BCAT2RAB9ANPC1KMT2AKDM4E
SCHEMBL27810327 0.65 EGLN1 (0.58) RAB9ANPC1KMT2AKDM4EMEN1
SCHEMBL21639618 0.64 LCK (0.41) BCAT2RAB9ANPC1KDM4ELCK
SCHEMBL29843226 0.63 MAPK1 (0.54) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL10680062 0.63 JAK2 (0.51) BCAT2GRM5CYP11B2CSF1R
SCHEMBL5535329 0.63 MAPK14 (0.35) MAPK14
SCHEMBL10367732 0.63 KDM4E (0.39) KMT2AKDM4EMEN1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872128-B2 Benzisoxazole and isoxazolo-pyridine compounds and method of use AMGEN INC. (US) 2011-01-18 US disclosed
US-20080227779-A1 Heterocyclic compounds and methods of use AMGEN INC. (US) 2008-09-18 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 (1 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-20080227779-A1 Heterocyclic compounds and methods of use KIT, TPSG1, CMA1 BCAT2 2437/4885RAB9A 1025/4885NPC1 3076/4885

“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.