SCHEMBL19782866

SCHEMBL19782866

c1ccc(-c2cccc(Nc3ncccn3)n2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
TP53 P04637 5/20 0.61
LMNA P02545 4/20 0.61
TDP1 Q9NUW8 4/20 0.61
CCR1 P32246 3/20 0.61
CCR5 P51681 3/20 0.61
CCR8 P51685 3/20 0.61
ALOX15 P16050 3/20 0.61
HTT P42858 3/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
ALPL P05186 2/20 0.61
MAPK1 P28482 2/20 0.61
HSP90AA1 P07900 1/20 0.61
ALPI P09923 1/20 0.61
ALPG P10696 1/20 0.61
POLB P06746 2/20 0.52
HIF1A Q16665 2/20 0.52
CYP1A2 P05177 1/20 0.52
METAP1 P53582 1/20 0.52

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
SCHEMBL30608756 1.00 KDM4E (0.61) KDM4ESMN1; SMN2TP53LMNATDP1
SCHEMBL20919383 0.90 KDM4E (0.68) KDM4ESMN1; SMN2TP53LMNATDP1
Hydrochloric Acid SCHEMBL4902758 0.85 SMN1; SMN2 (0.61) KDM4ESMN1; SMN2TP53LMNATDP1
SCHEMBL20919346 0.82 KMT2A (0.57) KDM4ESMN1; SMN2TP53LMNATDP1
SCHEMBL2819228 0.82 CDK4 (0.54) KDM4ESMN1; SMN2TP53LMNATDP1
SCHEMBL3133015 0.81 KDM4E (0.47) KDM4ESMN1; SMN2TP53LMNATDP1
SCHEMBL10958587 0.79 KDM4E (0.63) KDM4ESMN1; SMN2TP53LMNATDP1
SCHEMBL4902982 0.78 SMN1; SMN2 (0.52) KDM4ESMN1; SMN2TP53LMNATDP1
SCHEMBL3951276 0.78 MEN1 (0.67) SMN1; SMN2ALOX15NPC1RAB9AKMT2A
SCHEMBL29544002 0.78 MEN1 (0.67) SMN1; SMN2ALOX15NPC1RAB9AKMT2A

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
CN-116751195-A Bipyridine compound, pharmaceutically acceptable salt thereof, preparation method and application 杭州科兴生物化工有限公司 2023-09-15 CN disclosed
US-10913734-B2 Substituted aminothiazoles BARUCH S. BLUMBERG INSTITUTE 2021-02-09 US disclosed
US-10913734-B2 Substituted aminothiazoles BARUCH S. BLUMBERG INSTITUTE 2021-02-09 US disclosed
US-20190241552-A1 SUBSTITUTED AMINOTHIAZOLES BARUCH S. BLUMBERG INSTITUTE 2019-08-08 US disclosed
US-20190241552-A1 SUBSTITUTED AMINOTHIAZOLES BARUCH S. BLUMBERG INSTITUTE 2019-08-08 US disclosed
EP-3481810-A1 SUBSTITUTED AMINOTHIAZOLES Baruch S. Blumberg Institute (US) 2019-05-15 EP disclosed
WO-2018013508-A1 SUBSTITUTED AMINOTHIAZOLES BARUCH S. BLUMBERG INSTITUTE (US) 2018-01-18 WO disclosed
WO-2018013508-A1 SUBSTITUTED AMINOTHIAZOLES BARUCH S. BLUMBERG INSTITUTE (US) 2018-01-18 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 (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-10913734-B2 Substituted aminothiazoles ABAT, AADAT, BCAT1 KDM4E 1505/4885SMN1; SMN2 1331/4885TP53 159/4885
US-20190241552-A1 SUBSTITUTED AMINOTHIAZOLES ABAT, AADAT, BCAT1 KDM4E 1505/4885SMN1; SMN2 1331/4885TP53 159/4885

“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.