SCHEMBL17420132

SCHEMBL17420132

C=Cc1ccnc(SC)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 3/20 0.38
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
POLB P06746 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CCNT1 O60563 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33

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
SCHEMBL1879639 0.80 KMT2A (0.40) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL28836041 0.76 L3MBTL1 (0.55) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL23985444 0.76 MEN1 (0.43) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL12273053 0.74 MEN1 (0.36) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL12273055 0.74 MEN1 (0.36) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL29842006 0.73 KMT2A (0.41) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL6913009 0.72
SCHEMBL23662085 0.72 MEN1 (0.38) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL28820681 0.72 GAA (0.46) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL29881688 0.72 GAA (0.46) MEN1KMT2ANPC1RAB9ALMNA

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-9878996-B2 2-imidazolyl-pyrimidine scaffolds as potent and selective inhibitors of neuronal nitric oxide synthase NORTHWESTERN UNIVERSITY (US) 2018-01-30 US disclosed
US-9878996-B2 2-imidazolyl-pyrimidine scaffolds as potent and selective inhibitors of neuronal nitric oxide synthase NORTHWESTERN UNIVERSITY (US) 2018-01-30 US disclosed
US-20170260165-A1 2-Imidazolyl-Pyrimidine Scaffolds as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase NORTHWESTERN UNIVERSITY (US) 2017-09-14 US disclosed
US-20170260165-A1 2-Imidazolyl-Pyrimidine Scaffolds as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase NORTHWESTERN UNIVERSITY (US) 2017-09-14 US disclosed
US-9701661-B2 2-imidazolyl-pyrimidine scaffolds as potent and selective inhibitors of neuronal nitric oxide synthase NORTHWESTERN UNIVERSITY (US) 2017-07-11 US disclosed
US-9701661-B2 2-imidazolyl-pyrimidine scaffolds as potent and selective inhibitors of neuronal nitric oxide synthase NORTHWESTERN UNIVERSITY (US) 2017-07-11 US disclosed
EP-3166938-A2 2-IMIDAZOLYL-PYRIMIDINE SCAFFOLDS AS POTENT AND SELECTIVE INHIBITORS OF NEURONAL NITRIC OXIDE SYNTHASE Northwestern University (US) 2017-05-17 EP disclosed
WO-2016007966-A2 2-IMIDAZOLYL-PYRIMIDINE SCAFFOLDS AS POTENT AND SELECTIVE INHIBITORS OF NEURONAL NITRIC OXIDE SYNTHASE NORTHWESTERN UNIVERSITY (US) 2016-01-14 WO disclosed
US-20160009690-A1 2-Imidazolyl-Pyrimidine Scaffolds as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase NORTHWESTERN UNIVERSITY 2016-01-14 US disclosed
US-20160009690-A1 2-Imidazolyl-Pyrimidine Scaffolds as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase NORTHWESTERN UNIVERSITY 2016-01-14 US 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-20160009690-A1 2-Imidazolyl-Pyrimidine Scaffolds as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase HMOX1, HMOX2, PPOX MEN1 4476/4885KMT2A 2452/4885NPC1 2628/4885
US-20170260165-A1 2-Imidazolyl-Pyrimidine Scaffolds as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase HMOX1, HMOX2, PPOX MEN1 4476/4885KMT2A 2452/4885NPC1 2628/4885

“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.