SCHEMBL17200781

SCHEMBL17200781

Cn1c(=O)c2c(ncn2CC(=O)Nc2nnc(C(F)(F)F)s2)n(C)c1=O

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 7/20 0.68
▸ HSD17B10 Q99714 1/20 0.65
▸ ALDH1A1 P00352 2/20 0.64
▸ CYP2C9 P11712 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ THRB P10828 1/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ KMT2A Q03164 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ PORCN Q9H237 1/20 0.55
▸ TRPA1 O75762 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ ATM Q13315 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ TP53 P04637 2/20 0.54

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
SCHEMBL15727746 0.83 HSD17B10 (0.75) RXFP1HSD17B10ALDH1A1CYP2C9HPGD
SCHEMBL18166715 0.82 HSD17B10 (0.67) RXFP1HSD17B10ALDH1A1CYP2C9HPGD
SCHEMBL10113960 0.81 HSD17B10 (0.72) RXFP1HSD17B10ALDH1A1CYP2C9HPGD
SCHEMBL18166765 0.81 HSD17B10 (0.78) RXFP1HSD17B10ALDH1A1CYP2C9HPGD
SCHEMBL18166637 0.80 HSD17B10 (0.67) RXFP1HSD17B10ALDH1A1CYP2C9HPGD
SCHEMBL15075803 0.79 RXFP1 (0.64) RXFP1HSD17B10ALDH1A1THRBCYP1A2
SCHEMBL10113920 0.78 PORCN (0.70) RXFP1HSD17B10ALDH1A1THRBCYP1A2
SCHEMBL12584287 0.77 KMT2A (0.67) RXFP1THRBCYP1A2KMT2AMEN1
SCHEMBL17527090 0.77 RXFP1 (0.69) RXFP1ALDH1A1THRBCYP1A2KMT2A
SCHEMBL18166643 0.76 RXFP1 (0.72) RXFP1HSD17B10THRBCYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2931280-B1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS INC (US) 2018-02-14 — — EP disclosed
US-9340532-B2 Methods and compositions for inhibiting CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2016-05-17 — — US disclosed
US-20150307482-A1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2015-10-29 — — 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-20150307482-A1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 CNKSR1, CAMKK1, CAMKK2 RXFP1 2650/4885HSD17B10 3162/4885ALDH1A1 4764/4885

“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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