SCHEMBL4186399

SCHEMBL4186399

NC(=O)c1cc2c(-c3cc(OCc4ccccc4)c(Cl)cc3Cl)nc(N)nc2s1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 19/20 0.59
HSP90AA1 P07900 5/20 0.53
CYP2C19 P33261 1/20 0.53
JAK2 O60674 2/20 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
SCHEMBL3322211 0.93 HSP90AB1 (0.57) HSP90AB1HSP90AA1CYP2C19JAK2
SCHEMBL31170815 0.88 HSP90AB1 (0.57) HSP90AB1HSP90AA1CYP2C19JAK2
SCHEMBL3327824 0.88 HSP90AB1 (0.61) HSP90AB1HSP90AA1CYP2C19JAK2
SCHEMBL3324933 0.88 HSP90AB1 (0.57) HSP90AB1HSP90AA1CYP2C19JAK2
SCHEMBL3320527 0.88 HSP90AB1 (0.75) HSP90AB1HSP90AA1CYP2C19JAK2
SCHEMBL31108382 0.88 HSP90AB1 (0.75) HSP90AB1HSP90AA1CYP2C19JAK2
SCHEMBL3327826 0.86 HSP90AB1 (0.66) HSP90AB1HSP90AA1CYP2C19JAK2
SCHEMBL13917676 0.83 HSP90AB1 (0.67) HSP90AB1HSP90AA1CYP2C19JAK2
SCHEMBL4189048 0.82 HSP90AB1 (0.49) HSP90AB1HSP90AA1CYP2C19
SCHEMBL13126139 0.80 HSP90AB1 (0.81) HSP90AB1HSP90AA1CYP2C19JAK2

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-20090069336-A1 PYRIMIDOTHIOPHENE COMPOUNDS Dymock, Brian William (GB) 2009-03-12 US disclosed
US-20090069336-A1 PYRIMIDOTHIOPHENE COMPOUNDS Dymock, Brian William (GB) 2009-03-12 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-20090069336-A1 PYRIMIDOTHIOPHENE COMPOUNDS ALK, NRAS, ROS1 HSP90AB1 5/4885HSP90AA1 6/4885CYP2C19 1376/4885

“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.