SCHEMBL24978830

SCHEMBL24978830

Cc1nc2cc(C(C)(C)C)c(C(F)(F)F)cc2n1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ESRRA P11474 1/20 0.46
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ MAPT P10636 3/20 0.38
▸ NPC1 O15118 6/20 0.35
▸ RAB9A P51151 6/20 0.35
▸ PDGFRB P09619 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ ATM Q13315 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ GLA P06280 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
SCHEMBL24978832 0.83 ESRRA (0.36) KDM4EALDH1A1ESRRAMAPTIRAK4
SCHEMBL23302179 0.81 KDM4E (0.47) KDM4EALDH1A1LMNAESRRACHRNB2
SCHEMBL16806050 0.81 KDM4E (0.47) KDM4EALDH1A1LMNAESRRACHRNB2
SCHEMBL13916682 0.74 KDM4E (0.69) KDM4EALDH1A1LMNAESRRACHRNB2
SCHEMBL13916685 0.72 KDM4E (0.67) KDM4EALDH1A1LMNAESRRACHRNB2
SCHEMBL11873364 0.72 CCNT1 (0.33) KDM4EALDH1A1LMNAHSD11B1GLA
SCHEMBL23302264 0.72 KDM4E (0.39) KDM4EALDH1A1LMNAESRRACHRNB2
SCHEMBL14549310 0.71 CHRNB2 (0.46) KDM4ELMNACHRNB2CHRNA4RAB9A
SCHEMBL8058929 0.70 KDM4E (0.50) KDM4EALDH1A1LMNAMAPTNPC1
SCHEMBL15727582 0.70 KDM4E (0.50) KDM4EALDH1A1LMNAESRRACHRNB2

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-20230023023-A1 4-AMINOBUT-2-ENAMIDE DERIVATIVES AND SALTS THEREOF ASTEX THERAPEUTICS LIMITED (GB) 2023-01-26 — — 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-20230023023-A1 4-AMINOBUT-2-ENAMIDE DERIVATIVES AND SALTS THEREOF KRAS, NRAS, HRAS KDM4E 1777/4885ALDH1A1 2807/4885LMNA 3025/4885

“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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