SCHEMBL3229989

SCHEMBL3229989

Clc1cnc2nc[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
HTT P42858 2/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 3/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
MAPT P10636 2/20 0.38
GUSB P08236 3/20 0.37
NOS1 P29475 1/20 0.36
DYRK1A Q13627 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
PABPC1 P11940 1/20 0.36
KMT2A Q03164 1/20 0.36
AURKA O14965 1/20 0.36
KIF11 P52732 1/20 0.36
POLB P06746 1/20 0.35
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
SCHEMBL8044760 0.76 ALDH1A1 (0.39) KDM4EALDH1A1PIK3CDPIK3CAPIK3CB
SCHEMBL30770845 0.76 ALDH1A1 (0.48) KDM4EHTTALDH1A1PIK3CDPIK3CA
SCHEMBL8367003 0.76 KDM4E (0.39) KDM4EALDH1A1PIK3CDPIK3CAPIK3CB
SCHEMBL2190488 0.76 ALDH1A1 (0.48) KDM4EHTTALDH1A1PIK3CDPIK3CA
SCHEMBL324998 0.76 ALDH1A1 (0.39) KDM4EALDH1A1PIK3CDPIK3CAPIK3CB
SCHEMBL620396 0.76 SMN1; SMN2 (0.48) KDM4EHTTALDH1A1PIK3CDPIK3CA
SCHEMBL29623085 0.76 KDM4E (0.39) KDM4EALDH1A1PIK3CDPIK3CAPIK3CB
SCHEMBL324999 0.76 ALDH1A1 (0.39) KDM4EALDH1A1PIK3CDPIK3CAPIK3CB
SCHEMBL21906548 0.76 ALDH1A1 (0.39) KDM4EALDH1A1PIK3CDPIK3CAPIK3CB
SCHEMBL27796456 0.76 ALDH1A1 (0.39) KDM4EALDH1A1PIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3159335-B1 NOVEL HETEROCYCLIC COMPOUND DAE WOONG PHARMA (KR) 2020-04-29 EP disclosed
US-10471139-B2 Toll-like receptor agonists THE UNIVERSITY OF KANSAS (US) 2019-11-12 US disclosed
US-10081634-B2 Heterocyclic compound DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2018-09-25 US disclosed
EP-3159335-A2 NOVEL HETEROCYCLIC COMPOUND Daewoong Pharmaceutical Co., Ltd. (KR) 2017-04-26 EP disclosed
US-20170088551-A1 NOVEL HETEROCYCLIC COMPOUND Daewoong Pharmaceutical., Ltd. (KR) 2017-03-30 US disclosed
US-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS 2016-06-16 US disclosed
WO-2015023958-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS (US) 2015-02-19 WO disclosed
WO-2010015637-A1 NEW ANTIVIRAL MODIFIED NUCLEOSIDES NOVARTIS AG (CH) 2010-02-11 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 (4 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-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS TLR1, TLR7, TLR8 KDM4E 4039/4885HTT 871/4885HSD17B10 2511/4885
US-10471139-B2 Toll-like receptor agonists TLR1, TLR7, TLR8 KDM4E 4039/4885HTT 871/4885HSD17B10 2511/4885
US-10081634-B2 Heterocyclic compound AARS1, NSUN3, RNASE1 KDM4E 3488/4885HTT 366/4885HSD17B10 646/4885
US-20170088551-A1 NOVEL HETEROCYCLIC COMPOUND AARS1, TARBP1, NSUN3 KDM4E 3544/4885HTT 486/4885HSD17B10 761/4885

“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.