SCHEMBL2173115

SCHEMBL2173115

CNC(=O)c1ccc2c(Cl)ccnc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.52
SMYD3 Q9H7B4 1/20 0.48
THRB P10828 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
TDP1 Q9NUW8 1/20 0.43
DYRK1A Q13627 1/20 0.42
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
IP6K1 Q92551 1/20 0.40
IP6K3 Q96PC2 1/20 0.40
IP6K2 Q9UHH9 1/20 0.40
ACVR1 Q04771 1/20 0.40

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
SCHEMBL24725139 0.88 SMYD3 (0.46) PLK1SMYD3NPC1RAB9AKMT2A
SCHEMBL27159840 0.88 PLK1 (0.56) PLK1SMYD3THRBNPC1RAB9A
SCHEMBL22972033 0.85 SMYD3 (0.48) SMYD3NPC1RAB9ATDP1KMT2A
SCHEMBL19880107 0.84 RET (0.49) SMYD3NPC1RAB9ALMNASMN1; SMN2
SCHEMBL22971925 0.84 SMYD3 (0.48) PLK1SMYD3NPC1RAB9AKMT2A
SCHEMBL7688331 0.84 SCN9A (0.53) SMYD3
SCHEMBL21201145 0.84 CSNK2A2 (0.50) SMYD3NPC1RAB9AKMT2ALMNA
SCHEMBL8600739 0.83 SMYD3 (0.51) SMYD3NPC1RAB9ATDP1KMT2A
SCHEMBL7693830 0.82 NPC1 (0.52) SMYD3THRBNPC1RAB9ATDP1
SCHEMBL30426250 0.82 ALOX15 (0.52) SMYD3DYRK1AKMT2ALMNASMN1; SMN2

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
WO-2023003973-A1 INHIBITORS TARGETING UBIQUITIN SPECIFIC PROTEASE 7 (USP7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-01-26 WO disclosed
US-7973164-B2 Quinoline derivatives ASTRAZENECA AB (SE) 2011-07-05 US disclosed
US-20090076074-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-03-19 US disclosed
EP-1994025-A1 QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2008-11-26 EP disclosed
WO-2007099326-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-07 WO disclosed
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 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 (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-20090076074-A1 QUINOLINE DERIVATIVES RECQL, NQO2, CCNA1 PLK1 366/4885SMYD3 2828/4885THRB 3365/4885

“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.