SCHEMBL3770059

SCHEMBL3770059

O=C(Nc1cccc(CCc2n[nH]c3ccnc(NC4CCCCC4)c23)c1)c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 10/20 0.49
BRAF P15056 1/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41

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
SCHEMBL382240 0.86 TTK (0.46) ACKR3NPC1RAB9A
SCHEMBL13006036 0.85 ACKR3 (0.47) ACKR3
SCHEMBL13006042 0.85 ACKR3 (0.42) ACKR3
SCHEMBL3768574 0.84 ACKR3 (0.45) ACKR3NPC1
SCHEMBL3775033 0.84 SIRT2 (0.46) ACKR3
SCHEMBL3766325 0.83 PARP1 (0.45) ACKR3NPC1RAB9AALDH1A1POLB
SCHEMBL3799432 0.83 HTR2B (0.44) ACKR3NPC1RAB9AALDH1A1
SCHEMBL13060943 0.83 ULK1 (0.44)
SCHEMBL3763689 0.83 LRRK2 (0.44) JAK2
SCHEMBL3766918 0.81 ACKR3 (0.45) ACKR3BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
EP-2408772-B1 COMPOUNDS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2015-07-01 EP disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 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 (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-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 ACKR3 125/4885BRAF 1798/4885JAK2 1557/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 ACKR3 124/4885BRAF 1771/4885JAK2 1492/4885

“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.