SCHEMBL22308523

SCHEMBL22308523

Cn1nc(C(C)(C)C)c2cc(CC(C)(C)c3n[nH]c4ccccc34)ccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 10/20 0.34
▸ FGFR1 P11362 2/20 0.33
▸ FLT1 P17948 2/20 0.33
▸ KDR P35968 2/20 0.33
▸ RET P07949 2/20 0.33
▸ PLK4 O00444 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ CHUK O15111 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ PAK4 O96013 1/20 0.33
▸ CHEK2 O96017 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ PRKCG P05129 1/20 0.33
▸ INSR P06213 1/20 0.33
▸ LCK P06239 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
SCHEMBL21024134 0.73 SLC22A12 (0.36) GRM4FGFR1FLT1KDRRET
SCHEMBL18613093 0.71 CCNT1 (0.34) KDRCDK1CDK2GSK3BCDK5
SCHEMBL2616447 0.70 KDM4E (0.52) FGFR1FLT1KDRRETPLK4
SCHEMBL21117190 0.70 GRM4 (0.37) GRM4FGFR1FLT1KDRRET
SCHEMBL2616445 0.69 SSTR4 (0.47) CNR1CNR2SSTR1SSTR4
SCHEMBL13266980 0.68 KDM4E (0.46) FGFR1FLT1KDRRETPLK4
SCHEMBL22515478 0.67 GRM4 (0.34) GRM4FGFR1FLT1KDRRET
SCHEMBL18672882 0.67 MEN1 (0.36) GRM4FGFR1FLT1KDRRET
SCHEMBL11682472 0.66 KDM4E (0.39) CNR1CNR2SSTR1SSTR4
SCHEMBL19413059 0.66 KDM4E (0.36) FGFR1FLT1KDRRETPLK4

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-20200247762-A1 K-RAS MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-08-06 — — 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-20200247762-A1 K-RAS MODULATORS KRAS, HRAS, NRAS GRM4 3604/4885FGFR1 1745/4885FLT1 3111/4885

“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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