SCHEMBL18010658

SCHEMBL18010658

Cn1nc(CCc2ccc(Cl)cc2)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
LMNA P02545 2/20 0.42
STAT3 P40763 1/20 0.42
DHFR P00374 1/20 0.41
TAAR1 Q96RJ0 2/20 0.40
AOC3 Q16853 1/20 0.39
ENPP2 Q13822 1/20 0.38
HSP90AB1 P08238 1/20 0.38
ADCY10 Q96PN6 1/20 0.37
BACE1 P56817 1/20 0.36
ALOX12 P18054 1/20 0.36
GALR3 O60755 1/20 0.36
NR2F2 P24468 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL711049 0.85 HSP90AB1 (0.50) POLBKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL7278528 0.73 NOS2 (0.41) POLBGAALMNABACE1
SCHEMBL13596557 0.73 CYP19A1 (0.50) KMT2AMEN1DHFRBACE1
SCHEMBL1293068 0.72 BCHE (0.39)
SCHEMBL2411656 0.70 MEN1 (0.58) POLBKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL7272832 0.70 NOS2 (0.44)
SCHEMBL5223298 0.69
SCHEMBL16255821 0.67
SCHEMBL1292950 0.67
SCHEMBL2135113 0.67 TAAR1 (0.68) GFERLMNATAAR1AOC3MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428061-B2 Autotaxin inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-10-01 US disclosed
EP-3253748-B1 AUTOTAXIN INHIBITORS CANCER RESEARCH TECH LTD (GB) 2019-04-17 EP disclosed
US-20180022742-A1 AUTOTAXIN INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-01-25 US disclosed
US-20180022742-A1 AUTOTAXIN INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-01-25 US disclosed
WO-2016124938-A1 AUTOTAXIN INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-08-11 WO 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-20180022742-A1 AUTOTAXIN INHIBITORS ENPP2, RNASE1, ATXN10 POLB 1170/4885KMT2A 353/4885MEN1 1121/4885
US-10428061-B2 Autotaxin inhibitors ENPP2, ATXN10, RNASE1 POLB 1016/4885KMT2A 248/4885MEN1 1232/4885

“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.