SCHEMBL5049992

SCHEMBL5049992

C=Cc1ccc2ncc(N(C)CCN(C)C)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 9/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ MCHR1 Q99705 7/20 0.39
▸ PDPK1 O15530 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL2621733 0.80 EGFR (0.45) ATMHRH3MCHR1PDPK1KDM4E
SCHEMBL4586485 0.72 TGFBR1 (0.39) KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2621735 0.72 ATM (0.40) ATMPDPK1
SCHEMBL4586234 0.69 ALDH1A1 (0.47) —
SCHEMBL12392176 0.68 MCHR1 (0.41) ATMHRH3MCHR1PDPK1
SCHEMBL4586097 0.67 PDE10A (0.42) MAPT
SCHEMBL12806229 0.67 ALDH1A1 (0.44) HRH3KDM4EMAPT
SCHEMBL3274768 0.64 NPC1 (0.45) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL15150330 0.63 ALDH1A1 (0.44) ATMNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL16289900 0.63 CYP1A2 (0.52) KDM4E

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-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 — — 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-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 ATM 2491/4885HRH3 1544/4885MCHR1 3324/4885

“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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