SCHEMBL13941659

SCHEMBL13941659

C=C(N)N/N=C(\C)c1ccc(NC(=O)c2cc3c(C)cccc3[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ EGFR P00533 3/20 0.46
▸ PIK3CA P42336 3/20 0.46
▸ MAPT P10636 4/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ PLK4 O00444 1/20 0.43
▸ CHEK1 O14757 1/20 0.43
▸ AURKA O14965 1/20 0.43
▸ CHUK O15111 1/20 0.43
▸ DAPK3 O43293 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ PAK4 O96013 1/20 0.43
▸ CHEK2 O96017 1/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ PIM1 P11309 1/20 0.43

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
SCHEMBL13941503 0.90 PLK4 (0.55) RAB9ANPC1EGFRPIK3CAMAPT
SCHEMBL13941569 0.85 EGFR (0.66) RAB9ANPC1EGFRPIK3CAMAPT
SCHEMBL13941634 0.80 EGFR (0.56) RAB9ANPC1EGFRPIK3CAMAPT
SCHEMBL13941645 0.79 EGFR (0.49) RAB9ANPC1EGFRPIK3CAMAPT
SCHEMBL13941584 0.79 EGFR (0.49) RAB9ANPC1EGFRPIK3CAMAPT
SCHEMBL13941620 0.78 NHERF1 (0.63) RAB9ANPC1EGFRPIK3CAKMT2A
SCHEMBL13941649 0.78 RXFP1 (0.55) RAB9ANPC1EGFRPIK3CAMAPT
SCHEMBL13941711 0.78 EGFR (0.50) RAB9ANPC1EGFRPIK3CAKMT2A
SCHEMBL13941579 0.77 EGFR (0.47) RAB9ANPC1EGFRPIK3CAMAPT
SCHEMBL13941598 0.77 MAPT (0.44) RAB9ANPC1MAPTKMT2AMEN1

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-8765802-B2 Kinase inhibitors, compositions thereof, and methods of use therewith PROVID PHARMACEUTICALS, INC. (US) 2014-07-01 — — US disclosed
US-20090018141-A1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH PROVID PHARMACEUTICALS, INC. 2009-01-15 — — 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-20090018141-A1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH CHEK2, ATM, CHEK1 RAB9A 2366/4885NPC1 3750/4885EGFR 1827/4885

“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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