SCHEMBL22032007

SCHEMBL22032007

O=c1[nH]cnc2c(-c3ccncc3)cn(-c3ccccc3)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.55
BRD4 O60885 2/20 0.48
MAPT P10636 6/20 0.47
LMNA P02545 3/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
PDPK1 O15530 1/20 0.45
DYRK1A Q13627 1/20 0.45
KMT2A Q03164 1/20 0.45
PKM P14618 1/20 0.45
ADORA3 P0DMS8 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA12 O43570 1/20 0.37

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
SCHEMBL8819526 0.92 SRC (0.64) SRCBRD4MAPTLMNAGAA
SCHEMBL22086127 0.86 SRC (0.52) SRCBRD4MAPTLMNAGAA
SCHEMBL22086425 0.86 SRC (0.49) SRCBRD4MAPTLMNAGAA
SCHEMBL22086424 0.86 SRC (0.54) SRCBRD4MAPTLMNAGAA
SCHEMBL22086181 0.84 SRC (0.50) SRCBRD4MAPTLMNAGAA
SCHEMBL20911839 0.84 SRC (0.52) SRCBRD4MAPTLMNAGAA
SCHEMBL20911644 0.84 SRC (0.52) SRCBRD4MAPTLMNAGAA
SCHEMBL22604422 0.83 SRC (0.51) SRCBRD4MAPTLMNAGAA
SCHEMBL20911692 0.83 SRC (0.51) SRCBRD4MAPTLMNAGAA
SCHEMBL20912334 0.82 CA1 (0.58) SRCBRD4MAPTLMNAGAA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3891158-B1 MAP4K4 INHIBITORS IMPERIAL COLLEGE INNOVATIONS LTD (GB) 2025-09-10 EP disclosed
US-12247045-B2 MAP4K4 inhibitors IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2025-03-11 US disclosed
US-20230055250-A1 MAP4K4 INHIBITORS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-02-23 US disclosed
US-20230055250-A1 MAP4K4 INHIBITORS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-02-23 US disclosed
EP-3891158-A1 MAP4K4 INHIBITORS Imperial College of Science, Technology and Medicine (GB) 2021-10-13 EP disclosed
WO-2020115481-A1 MAP4K4 INHIBITORS IMPERIAL COLLEGE OF SCIENCE, TECHNOLOGY AND MEDICINE (GB) 2020-06-11 WO disclosed
WO-2020115481-A1 MAP4K4 INHIBITORS IMPERIAL COLLEGE OF SCIENCE, TECHNOLOGY AND MEDICINE (GB) 2020-06-11 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 (2 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-20230055250-A1 MAP4K4 INHIBITORS MAP4K4, MAP4K5, MAP4K1 SRC 739/4885BRD4 663/4885MAPT 261/4885
US-12247045-B2 MAP4K4 inhibitors MAP4K4, MAP4K5, MAP4K1 SRC 739/4885BRD4 663/4885MAPT 261/4885

“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.