SCHEMBL9931328

SCHEMBL9931328

NCc1nc2cc(Br)ccc2n1CCO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.43
JAK2 O60674 5/20 0.42
JAK1 P23458 5/20 0.42
TYK2 P29597 5/20 0.42
JAK3 P52333 5/20 0.42
HPGD P15428 1/20 0.41
HDAC1 Q13547 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 2/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
NUDT1 P36639 1/20 0.39
BACE1 P56817 1/20 0.39
PPARG P37231 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 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
SCHEMBL2016798 0.82 KDM4E (0.44) KDM4EHTTKMT2AHDAC1ALDH1A1
SCHEMBL10298786 0.82 HDAC1 (0.54) KDM4EHTTKMT2AHPGDHDAC1
SCHEMBL9931306 0.79 KDM4E (0.46) KDM4EHTTKMT2AHPGDHDAC1
SCHEMBL10298662 0.79 KCNH2 (0.44) KDM4EHTTKMT2AJAK2JAK1
SCHEMBL27866535 0.79 JAK2 (0.46) KDM4EHTTJAK2JAK1TYK2
SCHEMBL27885535 0.77 KDM4E (0.47) KDM4EHTTKMT2AJAK2JAK1
SCHEMBL1972515 0.75 ALDH1A1 (0.40) KDM4EHTTKMT2AJAK2JAK1
SCHEMBL10176981 0.74 JAK2 (0.52) HTTJAK2JAK1TYK2JAK3
SCHEMBL6247270 0.73 MAPK1 (0.50) HDAC1ALDH1A1TP53MAPK1LMNA
SCHEMBL1520047 0.73 KDM4E (0.69) KDM4EHTTKMT2AJAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993765-B2 Tetrahydro-azacarboline MCH-1 antagonists, methods of making, and uses thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-03-31 US disclosed
US-8993765-B2 Tetrahydro-azacarboline MCH-1 antagonists, methods of making, and uses thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-03-31 US disclosed
US-8993765-B2 Tetrahydro-azacarboline MCH-1 antagonists, methods of making, and uses thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-03-31 US disclosed
WO-2012088124-A2 TETRAHYDRO-AZACARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-06-28 WO disclosed
WO-2012088124-A2 TETRAHYDRO-AZACARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-06-28 WO disclosed
US-20120157460-A1 TETRAHYDRO-AZACARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-06-21 US disclosed
US-20120157460-A1 TETRAHYDRO-AZACARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-06-21 US disclosed
US-20120157460-A1 TETRAHYDRO-AZACARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-06-21 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 (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-20120157460-A1 TETRAHYDRO-AZACARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF MCHR1, MCHR2, MC5R KDM4E 630/4885HTT 268/4885KMT2A 636/4885

“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.