SCHEMBL4077130

SCHEMBL4077130

Clc1ncnc2c1CCN(Cc1ccccc1)CC2

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.49
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
LIMK1 P53667 1/20 0.45
C5AR1 P21730 1/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PNMT P11086 1/20 0.43
MC4R P32245 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42

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
SCHEMBL322777 0.90 KMT2A (0.53) KMT2AALDH1A1KDM4EGLAGAA
SCHEMBL30767848 0.90 KMT2A (0.53) KMT2AALDH1A1KDM4EGLAGAA
SCHEMBL1549990 0.90 KMT2A (0.51) SIGMAR1KMT2AALDH1A1KDM4EGLA
SCHEMBL4976746 0.84 SIGMAR1 (0.47) SIGMAR1KMT2ALIMK1C5AR1MEN1
SCHEMBL14990656 0.83 MEN1 (0.46) SIGMAR1KMT2AALDH1A1LIMK1C5AR1
SCHEMBL1831603 0.79 C5AR1 (0.61) SIGMAR1KMT2AALDH1A1KDM4EGLA
SCHEMBL2532723 0.79 SIGMAR1 (0.43) SIGMAR1KMT2AALDH1A1KDM4EGLA
SCHEMBL2868214 0.77 KMT2A (0.59) KMT2AALDH1A1KDM4EGLAGAA
SCHEMBL1911807 0.77 KMT2A (0.52) KMT2AALDH1A1KDM4EGLAGAA
SCHEMBL1911808 0.77 KMT2A (0.52) SIGMAR1KMT2AALDH1A1KDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029588-A4 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORP (US) 2009-08-05 EP disclosed
EP-2029588-A2 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES Neurogen Corporation (US) 2009-03-04 EP disclosed
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 US disclosed
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 US disclosed
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 US disclosed
WO-2007146122-A2 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-12-21 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 (1 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-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES HRH3, HRH4, HRH2 SIGMAR1 559/4885KMT2A 1417/4885ALDH1A1 1142/4885

“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.