SCHEMBL2401935

SCHEMBL2401935

c1csc(-c2cnc(N3CCNCC3)n3ncnc23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.45
FLT3 P36888 2/20 0.42
MEN1 O00255 10/20 0.41
KMT2A Q03164 10/20 0.41
ALDH1A1 P00352 9/20 0.41
USP2 O75604 8/20 0.41
CYP1A2 P05177 8/20 0.41
CYP3A4 P08684 8/20 0.41
CASP1 P29466 8/20 0.41
CASP7 P55210 8/20 0.41
CYP2C9 P11712 7/20 0.41
HIF1A Q16665 7/20 0.41
HSD17B10 Q99714 6/20 0.41
HPGD P15428 4/20 0.40
GLA P06280 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
CHEK1 O14757 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39

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
Hydrochloric Acid SCHEMBL2402650 0.99 ADRB1 (0.44) ADRB1FLT3MEN1KMT2AALDH1A1
SCHEMBL2403073 0.87 MET (0.46) FLT3MEN1KMT2AALDH1A1USP2
SCHEMBL2401468 0.82 ADRB1 (0.44) ADRB1FLT3MEN1KMT2AALDH1A1
SCHEMBL2401936 0.82 HTT (0.40) MEN1KMT2AALDH1A1HPGDGLA
SCHEMBL2405574 0.81 HRH4 (0.46) ADRB1FLT3MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL2405585 0.81 ADRB1 (0.43) ADRB1FLT3MEN1KMT2AALDH1A1
SCHEMBL2404780 0.76 GBA1 (0.49) KDM4E
SCHEMBL2404654 0.76 ALDH1A1 (0.43) ADRB1FLT3MEN1KMT2AALDH1A1
SCHEMBL2402272 0.72 CHRNB2 (0.40) ALDH1A1KDM4EHTR2C
SCHEMBL2400859 0.69 HRH4 (0.46) MEN1KMT2AALDH1A1USP2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210053989-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI BLUERAY BIOPHARMA CO., LTD. (CN) 2021-02-25 US disclosed
EP-2545058-B1 TETRAZOLO[1,5-a]PYRAZINE COMPOUNDS AS INHIBITORS OF HISTAMINE RECEPTORS KALYPSYS INC (US) 2016-08-24 EP disclosed
US-8569300-B2 Substituted tetrazolo[1,5-A]pyrazine inhibitors of histamine receptors for the treatment of disease KALYPSYS INC. (US) 2013-10-29 US disclosed
US-8569300-B2 Substituted tetrazolo[1,5-A]pyrazine inhibitors of histamine receptors for the treatment of disease KALYPSYS INC. (US) 2013-10-29 US disclosed
US-8569300-B2 Substituted tetrazolo[1,5-A]pyrazine inhibitors of histamine receptors for the treatment of disease KALYPSYS INC. (US) 2013-10-29 US disclosed
EP-2545058-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2013-01-16 EP disclosed
US-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-29 US disclosed
US-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-29 US disclosed
US-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-29 US disclosed
WO-2011112766-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 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-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 ADRB1 569/4885FLT3 1548/4885MEN1 1013/4885
US-20210053989-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF PTPN11, PPM1F, PTPRF ADRB1 4603/4885FLT3 197/4885MEN1 2450/4885

“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.