SCHEMBL214394

SCHEMBL214394

Nc1nc2c([nH]1)CCCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
BPTF Q12830 1/20 0.38
APAF1 O14727 1/20 0.38
NSD2 O96028 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
SMPD3 Q9NY59 1/20 0.37
APOBEC3A P31941 1/20 0.34

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 SCHEMBL4912069 0.98 ACHE (0.38) ACHEKDM4EMEN1MAPK1KMT2A
SCHEMBL4347763 0.71 HRH4 (0.38) ACHEHRH4SMPD3TSHR
SCHEMBL2254884 0.71 HRH4 (0.38) ACHEHRH4SMPD3TSHR
SCHEMBL171272 0.71 HAVCR2 (0.48) ACHEKDM4EHRH4SMPD3TSHR
SCHEMBL31563608 0.71 HRH4 (0.38) ACHEMAPK1NSD2HRH4SMPD3
SCHEMBL11633028 0.71 HRH4 (0.35) ACHEKDM4EMEN1MAPK1KMT2A
SCHEMBL10568181 0.70 HPGD (0.53) ACHEKDM4EMEN1MAPK1KMT2A
SCHEMBL10568178 0.70 SMN1; SMN2 (0.50) ACHEKDM4EMEN1MAPK1KMT2A
Hydrochloric Acid SCHEMBL28836282 0.70 HRH4 (0.34) ACHEHRH4SMPD3JAK1
SCHEMBL18780517 0.70 HRH4 (0.37) HRH4SMPD3TSHR

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203745-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2009-08-13 US claimed
US-20090104116-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2009-04-23 US claimed
EP-2024357-A2 NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF Jereni AG (DE) 2009-02-18 EP claimed
US-7442717-B2 Substituted 2-aminoimidazoles, process for their preparation, their use as medicament or diagnostic aid SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-28 US claimed
EP-1979342-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF Jerini AG (DE) 2008-10-15 EP claimed
WO-2007131764-A2 NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2007-11-22 WO claimed
WO-2007088041-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2007-08-09 WO claimed
US-20250215006-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF WRN INCYTE CORPORATION (US) 2025-07-03 US disclosed
US-8946259-B2 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2015-02-03 US disclosed
US-8927534-B2 Compounds for the inhibition of integrins and use thereof SHIRE ORPHAN THERAPIES GMBH (DE) 2015-01-06 US disclosed
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2014-03-06 US disclosed
US-8598353-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-12-03 US disclosed
US-8309735-B2 Heterocyclic compounds for the inhibition of integrins and use thereof SHIRE ORPHAN THERAPIES GMBH (DE) 2012-11-13 US disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO disclosed
EP-1863771-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS Transtech Pharma, Inc. (US) 2007-12-12 EP disclosed
WO-2007131764-A2 NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2007-11-22 WO disclosed
WO-2007088041-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2007-08-09 WO disclosed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 US disclosed
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 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 (5 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-20090203745-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF ITGB1, ITGA2, ITGB2 ACHE 2696/4885KDM4E 3047/4885MEN1 3899/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP ACHE 20/4885KDM4E 3510/4885MEN1 2918/4885
US-20090104116-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF ITGA1, ITGB1, ITGA5 ACHE 4568/4885KDM4E 3501/4885MEN1 3906/4885
US-20250215006-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF WRN WRN, BLM, RECQL ACHE 3341/4885KDM4E 3756/4885MEN1 1728/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP ACHE 20/4885KDM4E 3510/4885MEN1 2918/4885

“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.