SCHEMBL18899190

SCHEMBL18899190

NO/C=C\Cc1cc(-c2ncc(NC(=O)c3ccccn3)c(N)n2)nn1Cc1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUCY1B2 O75343 6/20 0.41
▸ GUCY1A2 P33402 6/20 0.41
▸ GUCY1A1 Q02108 6/20 0.41
▸ GUCY1B1 Q02153 6/20 0.41
▸ OPRK1 P41145 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ GRM5 P41594 2/20 0.35
▸ GRM4 Q14833 6/20 0.35

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
SCHEMBL18899080 0.79 GUCY1B2 (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL18899487 0.79 GUCY1B2 (0.39) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL10330226 0.79 GUCY1B2 (0.70) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL18405090 0.76 GUCY1B2 (0.43) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3437392 0.72 GUCY1B2 (0.72) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL18899030 0.71 GUCY1B2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL10330234 0.71 GUCY1B2 (0.68) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL10330291 0.71 GUCY1B2 (0.50) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL18405059 0.71 GUCY1B2 (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3436978 0.70 GUCY1B2 (0.55) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1

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
EP-3173407-A1 SGC STIMULATORS Ironwood Pharmaceuticals, Inc. (US) 2017-05-31 — — EP disclosed
US-20150274710-A1 PROCESSES FOR MAKING COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2015-10-01 — — 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-20150274710-A1 PROCESSES FOR MAKING COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, ATRIP, CHEK1 GUCY1B2 3644/4885GUCY1A2 3032/4885GUCY1A1 3232/4885

“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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