SCHEMBL4919239

SCHEMBL4919239

CCCN1Cc2nc3c(-c4cncc(OC)c4)cccc3c(N)c2C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP11B1 P15538 5/20 0.36
▸ CYP11B2 P19099 5/20 0.36
▸ BACE1 P56817 1/20 0.35
▸ BACE2 Q9Y5Z0 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ CHRNB1 P11230 1/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNB3 Q05901 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
SCHEMBL4920722 0.91 KDM4E (0.43) KDM4EALDH1A1TSHRBACE1GABRA1
SCHEMBL2661560 0.90 BRD4 (0.40) KDM4EALDH1A1TSHRBACE1HRH4
SCHEMBL2661588 0.88 CYP11B1 (0.43) KDM4ECYP11B1CYP11B2HRH4CYP17A1
SCHEMBL2660661 0.85 BACE1 (0.36) BACE1BACE2GABRA1GABRG2GABRB3
SCHEMBL2660836 0.85 PIK3CG (0.36) KDM4EALDH1A1TSHRGABRG2GABRB3
SCHEMBL4913959 0.84 GABRG2 (0.37) KDM4EALDH1A1TSHRGABRG2GABRB3
SCHEMBL2661996 0.84 KDM4E (0.36) KDM4EALDH1A1TSHRGABRA1GABRG2
SCHEMBL2655841 0.84 DHPS (0.40) ALDH1A1BACE1KMT2AHSP90AA1CYP1A2
SCHEMBL4924170 0.84 TP53 (0.42) KDM4EALDH1A1TSHRHRH4MAPT
SCHEMBL2661065 0.84 ALDH1A1 (0.40) KDM4EALDH1A1TSHRGABRA1GABRG2

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-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US claimed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — 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-20080318943-A1 Compounds and Uses Thereof - 848 COMT, BACE1, BDNF KDM4E 2357/4885ALDH1A1 442/4885TSHR 265/4885

“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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