SCHEMBL10120648

SCHEMBL10120648

Cc1ccc(-n2cncn2)nc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
POLB P06746 2/20 0.39
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
STING1 Q86WV6 1/20 0.34
CYP2D6 P10635 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL10120651 0.82 KDM4E (0.40) KDM4EPOLBGLAHTTALDH1A1
SCHEMBL23302278 0.74 MAPT (0.35) KDM4EPOLBGLAHTTALDH1A1
SCHEMBL27398495 0.72 KDM4E (0.46) KDM4EHTTALDH1A1SMN1; SMN2MAPT
SCHEMBL3372137 0.72 GRIN1 (0.39) KDM4EPOLBGLAHTTALDH1A1
SCHEMBL1056459 0.72 KDM4E (0.39) KDM4EPOLBGLAHTTALDH1A1
SCHEMBL28303005 0.71 CYP2A6 (0.47) KDM4EPOLBGLAHTTALDH1A1
SCHEMBL31556855 0.71 KDM4E (0.45) KDM4EPOLBGLAHTTALDH1A1
SCHEMBL21623963 0.71 KDM4E (0.45) KDM4EPOLBGLAHTTALDH1A1
SCHEMBL10105623 0.70 KDM4E (0.34) KDM4EPOLBGLAALDH1A1SMN1; SMN2
SCHEMBL14861028 0.69 KDM4E (0.35) KDM4EPOLBHTTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-02-16 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 (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-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, BDKRB2, GLP1R KDM4E 3379/4885POLB 4285/4885GLA 2482/4885

“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.