SCHEMBL21755169

SCHEMBL21755169

CCc1cnc(Nc2ccccc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.49
▸ TP53 P04637 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ JAK2 O60674 2/20 0.46
▸ LRRK2 Q5S007 1/20 0.46
▸ CDK2 P24941 6/20 0.46
▸ CDK1 P06493 5/20 0.46
▸ FGFR1 P11362 3/20 0.46
▸ FGFR3 P22607 3/20 0.46
▸ IGF1R P08069 2/20 0.46
▸ SRC P12931 2/20 0.46
▸ MARK3 P27448 2/20 0.46
▸ CDK5 Q00535 2/20 0.46
▸ PLK4 O00444 1/20 0.46
▸ AURKA O14965 1/20 0.46
▸ PDPK1 O15530 1/20 0.46
▸ PRKD3 O94806 1/20 0.46
▸ MAP4K4 O95819 1/20 0.46
▸ NTRK1 P04629 1/20 0.46
▸ INSR P06213 1/20 0.46

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
SCHEMBL5422215 0.81 HDAC6 (0.53) HDAC6MAPTJAK2LRRK2CDK2
SCHEMBL12190152 0.81 CYP1A2 (0.50) HDAC6JAK2LRRK2CDK2CDK1
SCHEMBL3947092 0.80 HDAC3 (0.56) HDAC6MAPTJAK2IGF1RSRC
SCHEMBL152586 0.78 HCAR3 (0.51) TP53MAPTSYK
SCHEMBL18294906 0.78 HDAC6 (0.53) HDAC6MAPTJAK2LRRK2CDK2
SCHEMBL14411849 0.78 KCNH3 (0.43) CDK2CDK1SYKCCNB1CCNE1
SCHEMBL18433823 0.77 LRRK2 (0.50) MAPTLRRK2CDK2CDK5PTK2
SCHEMBL4655004 0.75 CTSC (0.52) TP53MAPT
SCHEMBL7531008 0.74 RAB9A (0.56) —
SCHEMBL3697439 0.74 HDAC6 (0.57) HDAC6TP53MAPTCDK2AURKA

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-10568889-B2 Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto EMORY UNIVERSITY (US) 2020-02-25 — — 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-10568889-B2 Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto PTGER2, PTGES2, PTGER1 HDAC6 3627/4885TP53 3372/4885MAPT 4235/4885

“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.

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