SCHEMBL15635535

SCHEMBL15635535

CC(C)c1nc(I)n2ccncc12

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.33
GAA P10253 7/20 0.33
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CNR2 P34972 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
SCHEMBL21863531 0.81 MAPT (0.36) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL12196940 0.72 GAA (0.36) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL16160353 0.67 BRAF (0.39) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL11892538 0.67 GAA (0.39) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL31153442 0.66 MAPT (0.38) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL15636218 0.64 SRC (0.35)
SCHEMBL8829295 0.63 KDM4E (0.33) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL21863289 0.61 MAPT (0.40) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL12146436 0.60 BRAF (0.46) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL13377438 0.60 MAPT (0.39) MAPTGAAKDM4EALDH1A1HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150250785-A1 Tropomyosin-Related Kinase Inhibitors PFIZER LIMITED (GB) 2015-09-10 US disclosed
EP-2903986-A1 TROPOMYOSIN-RELATED KINASE INHIBITORS Pfizer Limited (GB) 2015-08-12 EP disclosed
WO-2014053965-A1 TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2014-04-10 WO disclosed
US-20100076087-A1 METHODS OF REDUCTION OF INTERPATIENT VARIABILITY AUSPEX PHARMACEUTICALS, INC. (US) 2010-03-25 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 (2 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-20100076087-A1 METHODS OF REDUCTION OF INTERPATIENT VARIABILITY TPMT, GUSB, CYP2D6 MAPT 3605/4885GAA 975/4885KDM4E 4077/4885
US-20150250785-A1 Tropomyosin-Related Kinase Inhibitors MUSK, TPM3, TNNI3 MAPT 687/4885GAA 3116/4885KDM4E 2585/4885

“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.