SCHEMBL13337089

SCHEMBL13337089

CCC(=O)c1ccn2ccnc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.43
NAMPT P43490 2/20 0.42
HSD11B1 P28845 2/20 0.40
ALPG P10696 4/20 0.39
PLAA Q9Y263 2/20 0.39
SSTR4 P31391 1/20 0.38
ALPL P05186 3/20 0.38
ALPI P09923 1/20 0.38
ATM Q13315 1/20 0.37
ESR1 P03372 1/20 0.37
GFER P55789 1/20 0.37
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
NTRK1 P04629 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
QPCT Q16769 2/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL14144286 0.84 NAMPT (0.42) PIK3C3NAMPTHSD11B1ALPGPLAA
SCHEMBL15175942 0.82 MEN1 (0.43) PIK3C3NAMPTHSD11B1ALPGPLAA
SCHEMBL13337098 0.82 NAMPT (0.44) PIK3C3NAMPTHSD11B1ALPGPLAA
SCHEMBL10138744 0.81 NTRK1 (0.48) PIK3C3NAMPTHSD11B1SSTR4MAPT
SCHEMBL23089629 0.80 NAMPT (0.53) PIK3C3NAMPTSSTR4NTRK1
SCHEMBL556235 0.80 JMJD6 (0.51) ESR1ALDH1A1HPGD
SCHEMBL22726734 0.80 NAMPT (0.40) PIK3C3NAMPTHSD11B1ALPGPLAA
SCHEMBL557414 0.80 KDM4C (0.44) PIK3C3NAMPTHSD11B1SSTR4MAPT
SCHEMBL3324038 0.78 PIK3C3 (0.39) PIK3C3NAMPTHSD11B1ALPGPLAA
SCHEMBL556729 0.78 PIK3C3 (0.43) PIK3C3NAMPTHSD11B1SSTR4NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2020-04-07 US disclosed
US-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2019-01-17 US disclosed
CN-108299314-A Compound for treating Duchenne-Arandisease PTC医疗公司 2018-07-20 CN disclosed
CN-104349777-B Compounds for the treatment of spinal muscular atrophy PTC医疗公司 2018-05-01 CN disclosed
EP-2114941-B1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2015-03-25 EP disclosed
CN-104349777-A Compounds for the treatment of spinal muscular atrophy PTC THERAPEUTICS INC 2015-02-11 CN disclosed
US-8895745-B2 Bicyclic heterocyclic compounds as FGFR inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-11-25 US disclosed
US-8895745-B2 Bicyclic heterocyclic compounds as FGFR inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-11-25 US disclosed
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
WO-2008078091-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2008-07-03 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 (3 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-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA PIK3C3 3783/4885NAMPT 1336/4885HSD11B1 59/4885
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock ROCK1, MYLK, RHOA PIK3C3 3783/4885NAMPT 1336/4885HSD11B1 59/4885
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors FGFR3, FGFR1, FGFR2 PIK3C3 1137/4885NAMPT 608/4885HSD11B1 3153/4885

“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.