SCHEMBL16203299

SCHEMBL16203299

Clc1ncnc(-n2cccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.35
HPGD P15428 2/20 0.33
KDM4E B2RXH2 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
SCHEMBL2146662 0.74 MAPT (0.42) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL32909 0.69
SCHEMBL10498358 0.68 MAPT (0.41) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7593026 0.68 ALDH1A1 (0.60) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10456578 0.68 ALDH1A1 (0.45) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6750146 0.67 KDR (0.32)
SCHEMBL965404 0.67
SCHEMBL10099648 0.67 MAPK1 (0.42) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10498362 0.65 MAPT (0.40) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6488650 0.65 SMN1; SMN2 (0.49) RAB9ASMN1; SMN2ALDH1A1KMT2AMEN1

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-20140323729-A1 PYRUVATE KINASE M2 MODULATORS, THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-10-30 US disclosed
US-20140323729-A1 PYRUVATE KINASE M2 MODULATORS, THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-10-30 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-20140323729-A1 PYRUVATE KINASE M2 MODULATORS, THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE PDK2, PDK1, PDK3 MAPT 3460/4885NPC1 3028/4885RAB9A 3865/4885

“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.