SCHEMBL4934778

SCHEMBL4934778

NC1N=CC=CC1(N)Cc1cc(-c2cccnc2)ccc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 7/20 0.46
▸ CYP11B2 P19099 7/20 0.46
▸ CYP19A1 P11511 4/20 0.46
▸ NOS3 P29474 1/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ NOS2 P35228 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ LRRK2 Q5S007 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ THRB P10828 1/20 0.38
▸ IKBKB O14920 1/20 0.37
▸ SMPD1 P17405 1/20 0.36
▸ PDPK1 O15530 1/20 0.35
▸ PRMT5 O14744 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35

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
SCHEMBL4938952 0.83 MEN1 (0.45) CYP11B1CYP11B2CYP19A1NOS3NOS1
SCHEMBL4933092 0.82 EPHX2 (0.44) CYP11B1CYP11B2CYP19A1ALDH1A1CYP1A2
SCHEMBL4938660 0.81 CCR5 (0.45) ALDH1A1LMNACYP1A2
SCHEMBL4932288 0.80 MRGPRX4 (0.38) ALDH1A1LMNA
SCHEMBL4938958 0.77 BACE1 (0.46) CYP11B1CYP11B2
SCHEMBL4934758 0.75 SYK (0.46) NOS3NOS1NOS2HTR1ADRD2
SCHEMBL4938118 0.74 AGXT (0.42) CYP11B1CYP11B2CYP19A1
SCHEMBL4937791 0.72 MAOB (0.46) ALDH1A1
SCHEMBL5244112 0.71 CYP11B1 (0.52) CYP11B1CYP11B2CYP19A1NOS3NOS1
SCHEMBL14259206 0.69 CYP11B1 (0.63) CYP11B1CYP11B2CYP19A1HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP11B1 1873/4885CYP11B2 1313/4885CYP19A1 4199/4885

“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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