SCHEMBL4931411

SCHEMBL4931411

NC1N=CC=CC1(N)Cc1ccc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.44
▸ MAOA P21397 2/20 0.44
▸ MAOB P27338 2/20 0.44
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ HTR2B P41595 2/20 0.36
▸ MC4R P32245 2/20 0.34
▸ MC5R P33032 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SLC1A3 P43003 1/20 0.34
▸ SLC1A2 P43004 1/20 0.34
▸ SLC1A1 P43005 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ SLC6A3 Q01959 2/20 0.33
▸ AKT2 P31751 1/20 0.33
▸ HTR7 P34969 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
SCHEMBL20553211 0.82 MAOA (0.39) KDM1AMAOAMAOB
SCHEMBL4938110 0.80 IDO1 (0.38) KDM1AMAOAMAOBRAB9A
SCHEMBL4939777 0.71 KDM1A (0.40) KDM1AMAOAMAOBCYP1A2CYP2A6
SCHEMBL1822811 0.65 MAOA (0.59) KDM1AMAOAMAOBCYP1A2CYP2A6
SCHEMBL30958591 0.62 KDM1A (0.55) KDM1AMAOAMAOBCYP1A2CYP2A6
SCHEMBL15780109 0.61 KDM1A (1.00) KDM1AMAOAMAOB
SCHEMBL15767696 0.61 KDM1A (1.00) KDM1AMAOAMAOB
SCHEMBL15767694 0.61 KDM1A (1.00) KDM1AMAOAMAOB
Hydrochloric Acid SCHEMBL15767571 0.60 KDM1A (1.00) KDM1AMAOAMAOB
SCHEMBL2779284 0.60 MAOA (0.52) KDM1AMAOAMAOBCYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287399-A1 Substituted Aminopyridines and Uses Thereof ASTRAZENECA AB (SE) 2008-11-20 — — US claimed
EP-1831170-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF AstraZeneca AB (SE) 2007-09-12 — — EP claimed
WO-2006065204-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF ASTRAZENECA AB (SE) 2006-06-22 — — WO claimed
US-20080287399-A1 Substituted Aminopyridines and Uses Thereof ASTRAZENECA AB (SE) 2008-11-20 — — 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-20080287399-A1 Substituted Aminopyridines and Uses Thereof PSEN2, SLC1A2, PSEN1 KDM1A 2504/4885MAOA 355/4885MAOB 244/4885

“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.

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