SCHEMBL20378251

SCHEMBL20378251

Cc1c(C(=O)O)cnn1CC#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ SPR P35270 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ RAB9A P51151 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NR4A3 Q92570 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL29224308 0.84 ALDH1A1 (0.42) KDM4ESMN1; SMN2HSD17B10GAATSHR
SCHEMBL19768898 0.83 KDM4E (0.40) KDM4ESMN1; SMN2HSD17B10GAATSHR
SCHEMBL3580133 0.79 LMNA (0.54) KDM4ESMN1; SMN2HSD17B10GAATSHR
SCHEMBL6052434 0.76 KDM4E (0.41) KDM4ESMN1; SMN2HSD17B10GAATSHR
SCHEMBL6156758 0.75 KDM4E (0.41) KDM4ESMN1; SMN2HSD17B10GAATSHR
SCHEMBL1304161 0.73 SMN1; SMN2 (0.41) KDM4ESMN1; SMN2HSD17B10GAATSHR
SCHEMBL17438003 0.73 KDM4E (0.40) KDM4ESMN1; SMN2HSD17B10GAATSHR
SCHEMBL4716984 0.73 AGTR1 (0.42) KDM4ESMN1; SMN2ALDH1A1TDP1SPR
SCHEMBL6052538 0.72 KMT2A (0.55) KDM4ESMN1; SMN2HSD17B10GAATSHR
SCHEMBL28976515 0.71 KDM4E (0.38) KDM4ESMN1; SMN2HSD17B10GAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10344026-B2 Compositions and methods of targeting mutant K-ras NANTBIO, INC. (US) 2019-07-09 — — US disclosed
US-20180201610-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS NANTBIO, INC. 2018-07-19 — — 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 (2 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-10344026-B2 Compositions and methods of targeting mutant K-ras KRAS, NRAS, HRAS KDM4E 3378/4885SMN1; SMN2 3468/4885HSD17B10 3966/4885
US-20180201610-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS KRAS, NRAS, HRAS KDM4E 3378/4885SMN1; SMN2 3468/4885HSD17B10 3966/4885

“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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