SCHEMBL29928441

SCHEMBL29928441

CNCc1cc(Oc2ccc(N3CCNCC3)nc2)cc(-c2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 2/20 0.38
▸ RET P07949 3/20 0.37
▸ NMT1 P30419 2/20 0.37
▸ FURIN P09958 5/20 0.37
▸ IL2 P60568 1/20 0.37
▸ MAP4K1 Q92918 1/20 0.37
▸ LTA4H P09960 2/20 0.37
▸ GUSB P08236 1/20 0.36
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ HTR2B P41595 2/20 0.36
▸ MAOB P27338 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ CHRM5 P08912 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ FPR3 P25089 1/20 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
SCHEMBL21553814 1.00 NTRK1 (0.38) NTRK1RETNMT1FURINIL2
SCHEMBL29927882 0.96 ZAP70 (0.38) NTRK1RETNMT1FURINIL2
SCHEMBL21550802 0.96 ZAP70 (0.38) NTRK1RETNMT1FURINIL2
SCHEMBL21551365 0.89 FURIN (0.41) FURINIL2MAP4K1HTR3A
SCHEMBL29928375 0.89 FURIN (0.41) FURINIL2MAP4K1HTR3A
SCHEMBL21551235 0.87 HDAC1 (0.38) FURIN
SCHEMBL29928230 0.87 HDAC1 (0.38) FURIN
SCHEMBL21550748 0.86 FURIN (0.39) RETFURIN
SCHEMBL29928103 0.86 FURIN (0.39) RETFURIN
SCHEMBL21550637 0.85 CHRNB2 (0.36) FURIN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4058021-A1 SMALL MOLECULE FURIN INHIBITORS FOR TREATING INFECTIOUS DISEASES BP Asset V, Inc. (US) 2022-09-21 — — EP claimed
CN-112384509-B Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2024-04-30 — — CN disclosed
US-20230011571-A1 SMALL MOLECULE FURIN INHIBITORS FOR TREATING INFECTIOUS DISEASES BP ASSET V, INC. (US) 2023-01-12 — — 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-20230011571-A1 SMALL MOLECULE FURIN INHIBITORS FOR TREATING INFECTIOUS DISEASES FURIN, LGMN, PLAU NTRK1 584/4885RET 290/4885NMT1 874/4885

“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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