SCHEMBL4939691

SCHEMBL4939691

COc1cccc(-c2ccc(OCc3ccccc3)c(CC3(N)C=CC=NC3N)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 9/20 0.43
▸ HTR1A P08908 3/20 0.43
▸ DRD2 P14416 3/20 0.43
▸ C5AR1 P21730 1/20 0.41
▸ MAOB P27338 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38

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
SCHEMBL4934758 0.89 SYK (0.46) ABCB1HTR1ADRD2SMN1; SMN2
SCHEMBL4934778 0.84 CYP11B1 (0.46) HTR1ADRD2ALDH1A1LMNAHSD17B10
SCHEMBL4937909 0.84 BACE1 (0.43) DRD2MAOBALDH1A1MEN1LMNA
SCHEMBL4932288 0.81 MRGPRX4 (0.38) ALDH1A1LMNAKDM4EHPGD
SCHEMBL4938660 0.81 CCR5 (0.45) ALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL4934023 0.80 BACE1 (0.52) MAPTCYP2D6CHEK1
SCHEMBL4939736 0.78 FYN (0.37) ALDH1A1LMNAKDM4EMAPTHPGD
SCHEMBL4937791 0.78 MAOB (0.46) MAOBALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL4939325 0.76 BACE1 (0.45) CYP1A2CYP3A4CYP2C9
SCHEMBL4938118 0.75 AGXT (0.42) —

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 2 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
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 ABCB1 1176/4885HTR1A 524/4885DRD2 414/4885

“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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