SCHEMBL17041972

SCHEMBL17041972

COc1cc(Br)cc2ncn(C3CCCCC3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TP53 P04637 1/20 0.42
AURKA O14965 1/20 0.40
JAK2 O60674 1/20 0.40
PRKCA P17252 1/20 0.40
JAK1 P23458 1/20 0.40
KDR P35968 1/20 0.40
JAK3 P52333 1/20 0.40
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
HCAR1 Q9BXC0 4/20 0.37
CNOT7 Q9UIV1 1/20 0.35
GRM1 Q13255 1/20 0.35
NQO2 P16083 2/20 0.35
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
HPGD P15428 2/20 0.34
SIK1 P57059 1/20 0.34
SIK2 Q9H0K1 1/20 0.34
SIK3 Q9Y2K2 1/20 0.34

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
SCHEMBL16428243 0.93 NQO2 (0.37) ALDH1A1TP53AURKAJAK2PRKCA
SCHEMBL17041960 0.76 ALDH1A1 (0.36) ALDH1A1TP53AURKAJAK2PRKCA
SCHEMBL25924927 0.74 PRPS1 (0.44) ALDH1A1TP53AURKAJAK2PRKCA
SCHEMBL30071605 0.73 NQO2 (0.41) ALDH1A1GAANQO2SIK1SIK2
SCHEMBL30159145 0.72 HSD17B10 (0.49) ALDH1A1TP53JAK1HSD17B10GAA
SCHEMBL28950793 0.72 HSD17B10 (0.49) ALDH1A1TP53JAK1HSD17B10GAA
SCHEMBL23925485 0.71 OPRK1 (0.43) ALDH1A1TP53JAK1
SCHEMBL30159073 0.71 ABL1 (0.44) ALDH1A1TP53JAK1HSD17B10GAA
SCHEMBL29187958 0.71 ABL1 (0.44) ALDH1A1TP53JAK1HSD17B10GAA
SCHEMBL16427671 0.71 HCAR1 (0.35) ALDH1A1AURKAJAK2PRKCAJAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301305-B2 Heteroaromatic derivatives and their use as pharmaceuticals MUTABILIS (FR) 2019-05-28 US disclosed
EP-3110803-B1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS MUTABILIS (FR) 2018-07-11 EP disclosed
US-20170015661-A1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS MUTABILIS (FR) 2017-01-19 US disclosed
EP-3110803-A1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS Mutabilis (FR) 2017-01-04 EP disclosed
WO-2015128333-A1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS LABORATOIRE BIODIM (FR) 2015-09-03 WO disclosed
EP-2913330-A1 Condensed derivatives of imidazole useful as pharmaceuticals LABORATOIRE BIODIM (FR) 2015-09-02 EP 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-20170015661-A1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS MSR1, IFNAR1, NOD2 ALDH1A1 2744/4885TP53 2903/4885AURKA 4269/4885
US-10301305-B2 Heteroaromatic derivatives and their use as pharmaceuticals MSR1, IFNAR1, NOD2 ALDH1A1 2744/4885TP53 2903/4885AURKA 4269/4885

“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.