SCHEMBL2879204

SCHEMBL2879204

C=CCNc1ncnc2ccncc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
MEN1 O00255 1/20 0.66
GAA P10253 1/20 0.66
MAPT P10636 1/20 0.66
KMT2A Q03164 1/20 0.66
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
LMNA P02545 1/20 0.61
HPGD P15428 1/20 0.61
MTOR P42345 1/20 0.61
HTT P42858 1/20 0.61
NCOA1 Q15788 1/20 0.61
NCOA3 Q9Y6Q9 1/20 0.61
EGFR P00533 17/20 0.59
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
NFKB1 P19838 1/20 0.45

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
SCHEMBL11237247 0.80 SMN1; SMN2 (1.00) RAB9ASMN1; SMN2MEN1GAAMAPT
SCHEMBL13283266 0.76 HTT (1.00) RAB9ASMN1; SMN2MEN1GAAMAPT
SCHEMBL29496542 0.76 HTT (1.00) RAB9ASMN1; SMN2MEN1GAAMAPT
SCHEMBL31197281 0.76 HTT (1.00) RAB9ASMN1; SMN2MEN1GAAMAPT
SCHEMBL22097291 0.75 HTT (0.72) RAB9ASMN1; SMN2MEN1GAAMAPT
SCHEMBL6836414 0.75 EGFR (1.00) RAB9ASMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL30708444 0.74 EGFR (0.56) EGFR
SCHEMBL30772876 0.70 DYRK1A (0.56) LMNAEGFR
SCHEMBL6839115 0.69 EGFR (0.70) KDM4ELMNAHTTEGFR
SCHEMBL30390568 0.69 CD38 (0.54) EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885369-B1 FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2015-09-23 EP disclosed
US-8859545-B2 Tetrahydronaphthyridine and tetrahydropyrido[4,3-D]pyrimidine compounds and compositions thereof useful for the treatment of inflammatory and respiratory diseases EVOTEC AG (DE) 2014-10-14 US disclosed
US-20100317676-A1 Fused heterocyclic compounds, and compositions and uses thereof RENOVIS, INC. 2010-12-16 US disclosed
US-7745451-B2 2,3-Difluoro-benzyl)-[6-(5-methyl-pyridin-2-yl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-yl]-amine, useful for the prevention and treatment of pain, inflammation, cognitive disorders, anxiety and depression in humans RENOVIS, INC. (US) 2010-06-29 US disclosed
US-20060258689-A1 2,3-Difluoro-benzyl)-[6-(5-methyl-pyridin-2-yl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-yl]-amine, useful for the prevention and treatment of pain, inflammation, cognitive disorders, anxiety and depression in humans EVOTEC SE (DE) 2006-11-16 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-20060258689-A1 2,3-Difluoro-benzyl)-[6-(5-methyl-pyridin-2-yl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-yl]-amine, useful for the prevention and treatment of pain, inflammation, cognitive disorders, anxiety and depression in humans BDNF, OPRL1, GRIN2D RAB9A 1986/4885SMN1; SMN2 1653/4885MEN1 4034/4885
US-20100317676-A1 Fused heterocyclic compounds, and compositions and uses thereof OPRL1, OPRK1, IL1B RAB9A 1064/4885SMN1; SMN2 1894/4885MEN1 2635/4885

“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.