SCHEMBL11894811

SCHEMBL11894811

COC(=O)c1cc(-c2cccn2C)nc2ccc3nn(-c4ccccc4)nc3c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PLA2G2A P14555 2/20 0.39
▸ KDM4E B2RXH2 8/20 0.39
▸ MAPT P10636 4/20 0.39
▸ PARP1 P09874 1/20 0.38
▸ ALDH1A1 P00352 6/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ HPGD P15428 4/20 0.36
▸ TP53 P04637 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ MAPK1 P28482 2/20 0.36

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
SCHEMBL11894712 0.90 KDM4E (0.41) TDP1L3MBTL1KDM4EMAPTPARP1
SCHEMBL11895101 0.85 HSP90AA1 (0.45) TDP1L3MBTL1PLA2G2AKDM4EMAPT
SCHEMBL11895026 0.81 TACR3 (0.46) TDP1L3MBTL1PLA2G2AKDM4EMAPT
SCHEMBL11894507 0.80 POLB (0.50) TDP1L3MBTL1KDM4EMAPTALDH1A1
SCHEMBL11894745 0.80 KDM4E (0.55) TDP1L3MBTL1PLA2G2AKDM4EMAPT
SCHEMBL11894653 0.77 KDM4E (0.46) TDP1L3MBTL1PLA2G2AKDM4EMAPT
SCHEMBL11894947 0.76 KDM4E (0.44) TDP1PLA2G2AKDM4EMAPTALDH1A1
SCHEMBL11894918 0.76 PLA2G2A (0.42) TDP1L3MBTL1PLA2G2AKDM4EMAPT
SCHEMBL11895070 0.76 PDE11A (0.39) TDP1L3MBTL1PLA2G2AKDM4EMAPT
SCHEMBL11894732 0.76 HSP90AA1 (0.42) TDP1L3MBTL1PLA2G2AMAPTALDH1A1

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 TDP1 3847/4885L3MBTL1 3943/4885PLA2G2A 4190/4885

“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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