SCHEMBL22185265

SCHEMBL22185265

Cc1c(C(C)C)ncn1-c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
PI4KA P42356 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
PTGS2 P35354 2/20 0.38
CYP11B2 P19099 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
F2 P00734 1/20 0.37
NOTUM Q6P988 1/20 0.37
GRM1 Q13255 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
XDH P47989 1/20 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
SCHEMBL19214262 0.78 ALDH1A1 (0.50) MAPTRAB9API4KAPI4K2BPI4K2A
SCHEMBL9412148 0.75 MAPT (0.46) MAPTRAB9API4KAPI4K2BPI4K2A
SCHEMBL9259435 0.71 ALDH1A1 (0.47) RAB9APTGS2NOTUMGRM1
SCHEMBL23507084 0.71 MKNK1 (0.47) MAPTRAB9API4KAPI4K2BPI4K2A
SCHEMBL30191651 0.69 FGFR1 (0.41) MAPT
SCHEMBL17052486 0.67 FGFR1 (0.47) RAB9APTGS2
SCHEMBL9262045 0.67 MKNK1 (0.47) MAPTRAB9APTGS2NOTUMGRM1
SCHEMBL15928084 0.66 KDM5A (0.43) PTGS2
SCHEMBL21668155 0.66 PTGS2 (0.46) HSP90AA1HSP90AB1MAPTPTGS2
SCHEMBL11559004 0.66 ALDH1A1 (0.49) RAB9APTGS2CYP11B2DUSP3PTPN5

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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-02 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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS IDH1, IDH2, IDH3A HSP90AA1 1030/4885HSP90AB1 652/4885MAPT 2893/4885

“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.