SCHEMBL11894887

SCHEMBL11894887

O=C(O)c1cc(-c2ccc[nH]2)nc2ccc3nn(-c4ccccc4)nc3c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.43
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ TACR3 P29371 1/20 0.40
▸ KDM4C Q9H3R0 1/20 0.38
▸ CYP19A1 P11511 1/20 0.37
▸ PTGES O14684 1/20 0.36
▸ KDM4E B2RXH2 7/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ HPGD P15428 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ MAPT P10636 2/20 0.34

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
SCHEMBL11894643 0.90 MEN1 (0.37) PARP1MEN1KMT2ATACR3KDM4C
SCHEMBL11895026 0.89 TACR3 (0.46) PARP1MEN1KMT2ATACR3KDM4E
SCHEMBL11894892 0.79 KDM4E (0.57) MEN1KMT2AKDM4ELMNAALDH1A1
SCHEMBL11894488 0.78 TACR3 (0.39) PARP1TACR3KDM4ESMN1; SMN2ALDH1A1
SCHEMBL11894712 0.78 KDM4E (0.41) PARP1MEN1KMT2ACYP19A1PTGES
SCHEMBL11895208 0.74 ALDH1A1 (0.48) KMT2ACYP19A1PTGESKDM4ESMN1; SMN2
SCHEMBL11894666 0.74 MYC (0.43) PARP1MEN1KMT2ACYP19A1PTGES
SCHEMBL13957934 0.74 KDM4E (0.63) MEN1KMT2ATACR3KDM4ESMN1; SMN2
SCHEMBL30102549 0.74 KDM4E (0.63) MEN1KMT2ATACR3KDM4ESMN1; SMN2
SCHEMBL11894744 0.74 DHODH (0.40) PARP1MEN1KMT2ATACR3CYP19A1

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 PARP1 3986/4885MEN1 2020/4885KMT2A 2231/4885

“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.

Send feedback