SCHEMBL7119901

SCHEMBL7119901

N=C(Nc1cccc(Nc2nccc3c(-c4ccccc4)cccc23)c1)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 15/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
MAPK1 P28482 1/20 0.43
ABL1 P00519 1/20 0.41
PDGFRB P09619 1/20 0.41
BCR P11274 1/20 0.41
PDGFRA P16234 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40

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
SCHEMBL7128452 0.92 ABCG2 (0.46) ABCG2MEN1KMT2AMAPTKDM4E
SCHEMBL7128446 0.79 ABCG2 (0.41) ABCG2MEN1KMT2AMAPTKDM4E
SCHEMBL7125078 0.79 HDAC3 (0.45) ABCG2MEN1KMT2AMAPTKDM4E
SCHEMBL7127026 0.75 AHR (0.53) ABCG2MEN1KMT2AMAPTKDM4E
SCHEMBL7119170 0.73 EPHX2 (0.47) ABCG2MEN1KMT2AMAPTKDM4E
SCHEMBL7981485 0.72 ABCG2 (0.41) ABCG2MEN1KMT2AMAPTMAPK1
SCHEMBL5450861 0.71 ABCG2 (0.53) ABCG2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7120224 0.71 SYK (0.44) ABCG2MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL7125034 0.69 RIPK2 (0.42) ABCG2MEN1KMT2AMAPTKDM4E
SCHEMBL28624148 0.69 MEN1 (0.54) MEN1KMT2AMAPTKDM4EALDH1A1

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-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 US disclosed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 WO 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-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 ABCG2 639/4885MEN1 244/4885KMT2A 263/4885

“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.