SCHEMBL27010919

SCHEMBL27010919

CC(C)c1cccc2[nH]nc(C(C)C)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ PDPK1 O15530 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ CDK5 Q00535 2/20 0.41
▸ ROCK1 Q13464 2/20 0.41
▸ CLK4 Q9HAZ1 2/20 0.41
▸ KIT P10721 2/20 0.41
▸ KDR P35968 2/20 0.41
▸ FLT3 P36888 2/20 0.41
▸ MAPK8 P45983 2/20 0.41
▸ MAPK9 P45984 2/20 0.41
▸ MAPK10 P53779 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CDC7 O00311 1/20 0.41
▸ PLK4 O00444 1/20 0.41

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
SCHEMBL18368384 0.81 CYP1A2 (0.41) CYP1A2LMNACYP3A4TSHRHIF1A
SCHEMBL23776897 0.80 ROCK1 (0.37) CYP1A2LMNACYP3A4TSHRHIF1A
SCHEMBL16475286 0.80 PDPK1 (0.56) CYP3A4PDPK1CDK5ROCK1CLK4
SCHEMBL61904 0.80 PDPK1 (0.40) CYP1A2LMNACYP3A4TSHRHIF1A
SCHEMBL62421 0.77 KDR (0.38) CYP1A2LMNACYP3A4TSHRHIF1A
SCHEMBL19134544 0.77 HTR2A (0.48) CYP1A2LMNACYP3A4TSHRHIF1A
SCHEMBL91098 0.76 KDR (0.37) CYP1A2LMNACYP3A4TSHRHIF1A
SCHEMBL7420704 0.75 KDM4E (0.39) CYP1A2LMNACYP3A4TSHRHIF1A
SCHEMBL4777030 0.74 MAP2K4 (0.41) CYP1A2LMNACYP3A4TSHRHIF1A
SCHEMBL347644 0.71 KDM4E (0.52) CYP1A2CYP3A4HIF1APDPK1MAPK10

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-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 — — 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-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY NFATC1, CTSS, MMP12 CYP1A2 2070/4885LMNA 3978/4885CYP3A4 2566/4885

“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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