SCHEMBL19475557

SCHEMBL19475557

N#Cc1ccc(Nc2ncc3c(n2)CCNC3)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.56
IKBKE Q14164 1/20 0.49
CDK2 P24941 4/20 0.42
CDK4 P11802 2/20 0.42
CDK6 Q00534 2/20 0.42
SYK P43405 2/20 0.41
BTK Q06187 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
WEE1 P30291 3/20 0.39
PKMYT1 Q99640 2/20 0.39
AXL P30530 2/20 0.39
TYRO3 Q06418 2/20 0.39
MERTK Q12866 2/20 0.39
IGF1R P08069 1/20 0.39
CCNA2 P20248 2/20 0.39
CDK5 Q00535 2/20 0.39
CDK5R1 Q15078 2/20 0.39
MAOB P27338 2/20 0.39
CDK1 P06493 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
SCHEMBL9954342 0.81 MAOB (0.58) GRM5IKBKECDK2CDK4CDK6
SCHEMBL9959309 0.80 CDK5 (0.49) GRM5CDK2CDK4CDK6BTK
SCHEMBL16836125 0.79 KCNJ1 (0.45) IKBKE
SCHEMBL9958931 0.78 GRM5 (0.55) GRM5CDK2CDK4CDK6BTK
SCHEMBL19512955 0.77 DRD2 (0.52) GRM5WEE1PKMYT1
SCHEMBL23021273 0.75 TP53 (0.43) GRM5CDK2SYKCCNA2CDK5
SCHEMBL9959904 0.75 CDK2 (0.67) GRM5CDK2CDK4CDK6BTK
SCHEMBL17620607 0.75 CDK5 (0.65) GRM5CDK2CDK4NPC1RAB9A
SCHEMBL22999977 0.74 GRM5 (0.44) GRM5IKBKECDK2SYKBTK
Hydrochloric Acid SCHEMBL22999747 0.74 TP53 (0.43) GRM5CDK2SYKCCNA2CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3445762-B1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-09-13 EP disclosed
EP-3445762-B1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-09-13 EP disclosed
US-10851108-B2 Substituted bicyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-01 US disclosed
US-10851108-B2 Substituted bicyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-01 US disclosed
US-20190127380-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-05-02 US disclosed
US-20190127380-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-05-02 US disclosed
WO-2017184662-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-26 WO disclosed
WO-2017184662-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-26 WO 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-20190127380-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS NR0B1, GRK4, CRKL GRM5 1609/4885IKBKE 403/4885CDK2 977/4885
US-10851108-B2 Substituted bicyclic heterocyclic compounds NR0B1, GRK4, CRKL GRM5 1609/4885IKBKE 403/4885CDK2 977/4885

“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.