SCHEMBL19793294

SCHEMBL19793294

Nc1nnc(CCc2ccc(C(F)(F)F)cc2)s1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.63
TAAR1 Q96RJ0 1/20 0.49
QPCT Q16769 1/20 0.48
LMNA P02545 2/20 0.48
PKM P14618 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 7/20 0.46
POLB P06746 2/20 0.46
HPGD P15428 2/20 0.44
MAOB P27338 1/20 0.44
GLS O94925 2/20 0.43
IDO1 P14902 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LTA4H P09960 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL3467136 0.85 ALDH1A1 (0.63) ATMQPCTLMNAPKMHSD17B10
SCHEMBL11751719 0.82 ATM (0.60) ATMTAAR1LMNAPKMHSD17B10
SCHEMBL17967711 0.81 ATM (0.69) ATMLMNAALDH1A1POLBHPGD
Hydrochloric Acid SCHEMBL21391938 0.80 ATM (0.67) ATMLMNAALDH1A1POLBHPGD
SCHEMBL26599232 0.78 ATM (0.69) ATMLMNAALDH1A1POLBHPGD
SCHEMBL17967124 0.78 ALDH1A1 (0.72) ATMLMNAALDH1A1POLBGLS
SCHEMBL3729367 0.78 ATM (1.00) ATMALDH1A1POLBHPGDGLS
SCHEMBL25153688 0.75 LMNA (0.71) LMNAPKMHSD17B10ALDH1A1POLB
SCHEMBL26599691 0.74 ATM (0.63) ATMLMNAALDH1A1POLBHPGD
SCHEMBL18010484 0.74 ALDH1A1 (0.75) ATMTAAR1LMNAHSD17B10ALDH1A1

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-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

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 ATM 3468/4885TAAR1 2154/4885QPCT 68/4885
US-10428061-B2 Autotaxin inhibitors ENPP2, ATXN10, RNASE1 ATM 3535/4885TAAR1 2218/4885QPCT 81/4885

“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.