SCHEMBL11895070

SCHEMBL11895070

COC(=O)c1cc(-c2ccnn2C)nc2ccc3nn(-c4cccc(F)c4)nc3c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE11A Q9HCR9 9/20 0.39
▸ CYP3A4 P08684 3/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ PLA2G2A P14555 2/20 0.36
▸ GRM5 P41594 2/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32

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
SCHEMBL11894579 0.90 PDE11A (0.42) PDE11ACYP3A4CYP2C9CYP2D6ALDH1A1
SCHEMBL11894800 0.85 PLA2G2A (0.44) CYP3A4PLA2G2AALDH1A1TDP1KDM4E
SCHEMBL11894864 0.84 ALDH1A1 (0.44) PLA2G2AGRM5L3MBTL1ALDH1A1TP53
SCHEMBL11895198 0.84 GRM5 (0.44) CYP3A4CYP2C9PLA2G2AGRM5TP53
SCHEMBL11894742 0.83 ALDH1A1 (0.43) L3MBTL1ALDH1A1TP53MAPTTDP1
SCHEMBL11894915 0.83 MAPK1 (0.43) CYP3A4CYP2C9CYP2D6PLA2G2AALDH1A1
SCHEMBL11894890 0.82 PLA2G2A (0.40) PLA2G2AL3MBTL1ALDH1A1TP53MAPT
SCHEMBL11895552 0.82 PLA2G2A (0.40) PLA2G2AGRM5L3MBTL1ALDH1A1TP53
SCHEMBL11894488 0.82 TACR3 (0.39) PLA2G2AGRM5L3MBTL1ALDH1A1TP53
SCHEMBL11894936 0.82 MCL1 (0.39) PLA2G2AL3MBTL1ALDH1A1TP53MAPT

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
EP-2487175-A1 PHARMACEUTICAL PRODUCT CONTAINING AROMATIC HETEROCYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2012-08-15 — — EP disclosed
US-20120196854-A1 PHARMACEUTICAL COMPOSITION COMPRISING AROMATIC HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-08-02 — — 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-20120196854-A1 PHARMACEUTICAL COMPOSITION COMPRISING AROMATIC HETEROCYCLIC COMPOUND CYP2C18, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2B6 PDE11A 4300/4885CYP3A4 35/4885CYP2C9 63/4885

“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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