SCHEMBL21958684

SCHEMBL21958684

Cc1nc(O)nc2cn[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.44
▸ PTK2 Q05397 1/20 0.44
▸ MAPT P10636 1/20 0.35
▸ SLC2A1 P11166 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ FGFR1 P11362 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
SCHEMBL20674123 0.79 HTT (0.47) HTTPTK2MAPTSLC2A1ALDH1A1
SCHEMBL3320036 0.79 PTK2 (0.38) HTTPTK2FGFR1
SCHEMBL22693062 0.73 HTT (0.41) HTTPTK2MAPTSLC2A1
SCHEMBL19964519 0.71 HTT (0.52) HTTPTK2MAPTSLC2A1ALDH1A1
SCHEMBL8423993 0.71 HTT (0.42) HTTPTK2MAPTSLC2A1ALDH1A1
SCHEMBL6850410 0.71 HTT (0.47) HTTPTK2MAPTSLC2A1ALDH1A1
SCHEMBL20674569 0.68 KDR (0.35) ALDH1A1
SCHEMBL20272422 0.65 SLC2A1 (0.47) HTTPTK2MAPTSLC2A1ALDH1A1
SCHEMBL19661001 0.64 HTT (0.44) HTTPTK2MAPTSLC2A1
SCHEMBL17099469 0.64 NOS1 (0.41) HTTPTK2MAPTSLC2A1ALDH1A1

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-20200131176-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LIMITED (KY) 2020-04-30 — — 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-20200131176-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE EGFR, ERBB3, ERBB2 HTT 4407/4885PTK2 505/4885MAPT 2598/4885

“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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