SCHEMBL6068058

SCHEMBL6068058

O=C(NCCN1CCNCC1)Nc1nc2ccc(Oc3ccc(F)cc3)cc2s1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.62
MET P08581 5/20 0.49
CYP3A4 P08684 4/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
AURKB Q96GD4 1/20 0.47
MEN1 O00255 1/20 0.46
SCD O00767 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
SCN4A P35499 1/20 0.43
SCN9A Q15858 1/20 0.43

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
SCHEMBL6068180 0.85 ABL1 (0.57) ABL1NPC1RAB9AAURKBMEN1
SCHEMBL23901243 0.82 ABL1 (0.64) ABL1METCYP3A4NPC1RAB9A
SCHEMBL6067958 0.82 NPC1 (0.48) ABL1NPC1RAB9AMEN1SCD
SCHEMBL23900992 0.81 ABL1 (0.73) ABL1MET
SCHEMBL6067899 0.81 ABL1 (0.62) ABL1METCYP3A4NPC1RAB9A
SCHEMBL6068271 0.80 ABL1 (0.65) ABL1NPC1RAB9AMEN1SCD
SCHEMBL3788533 0.79 ABL1 (0.54) ABL1MET
SCHEMBL544509 0.79 ABL1 (0.57) ABL1METCYP3A4ALDH1A1POLB
SCHEMBL6068317 0.79 NPC1 (0.49) ABL1NPC1RAB9AMEN1SCD
SCHEMBL23901018 0.78 ABL1 (0.86) ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091227-B2 Benzothiazole derivatives ABBOTT GMBH & CO. KG (DE) 2006-08-15 US disclosed
US-20030153568-A1 Benzothiazole derivatives BASF AKTIENGESELLSCHAFT LUDWIGSHAFEN, GERMANY 2003-08-14 US disclosed
EP-1254123-A1 2-BENZOTHIAZOLYL UREA DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS Abbott GmbH & Co. KG (DE) 2002-11-06 EP disclosed
WO-2001057008-A1 2-BENZOTHIAZOLYL UREA DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ABBOTT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG & COMPANY KOMMANDITGESELLSCHAFT (DE) 2001-08-09 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-20030153568-A1 Benzothiazole derivatives TK1, FLT1, CDK1 ABL1 7/4885MET 489/4885CYP3A4 1122/4885

“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.