SCHEMBL2760171

SCHEMBL2760171

Cc1csc(CN/C(N)=N\C#N)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.37
▸ PDE10A Q9Y233 2/20 0.34
▸ SLC5A7 Q9GZV3 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NAMPT P43490 1/20 0.32
▸ FPR2 P25090 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL9328933 0.73 CYP3A4 (0.42) RAB9ANPC1HSP90AA1HSD17B10MAPK1
SCHEMBL166920 0.72 — —
SCHEMBL5178524 0.70 RAB9A (0.50) RAB9ANPC1HSP90AA1HSD17B10PDE10A
SCHEMBL13086521 0.70 RAB9A (0.47) RAB9ANPC1HSP90AA1PDE10AMAPK1
SCHEMBL8966430 0.69 PARP15 (0.35) RAB9ANPC1SMN1; SMN2
SCHEMBL13024405 0.68 RAB9A (0.49) RAB9ANPC1HSP90AA1PDE10AMAPK1
SCHEMBL3686716 0.68 RAB9A (0.48) RAB9ANPC1HSP90AA1PDE10ASLC5A7
SCHEMBL11484947 0.67 CYP3A4 (0.36) HSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL2813987 0.67 SLC11A2 (0.37) MEN1KMT2A
SCHEMBL2813984 0.67 SLC11A2 (0.37) MEN1KMT2A

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
US-8088766-B2 Cyanoguanidines and cyanoamidines as ErbB2 and EGFR inhibitors ARRAY BIOPHARMA INC. (US) 2012-01-03 — — US disclosed
US-7488823-B2 Cyanoguanidines and cyanoamidines as ErbB2 and EGFR inhibitors ARRAY BIOPHARMA, INC. (US) 2009-02-10 — — US disclosed
US-20090012290-A1 CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS ARRAY BIOPHARMA, INC. (US) 2009-01-08 — — 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-20090012290-A1 CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS ERBB2, GRB2, EGFR RAB9A 1792/4885NPC1 2504/4885HSP90AA1 1508/4885

“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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