SCHEMBL7865611

SCHEMBL7865611

COC(=O)Oc1ccc(F)c(N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
HTT P42858 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
THRB P10828 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
MCL1 Q07820 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ABL1 P00519 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 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
Hydrochloric Acid SCHEMBL2523367 0.98 MAPT (0.40) MAPTSMN1; SMN2HTTNPC1RAB9A
SCHEMBL15528067 0.82 LMNA (0.47) MAPTSMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL8777789 0.81 ALDH1A1 (0.47) MAPTSMN1; SMN2HTTNPC1RAB9A
SCHEMBL17355743 0.81 RAB9A (0.42) MAPTSMN1; SMN2HTTNPC1RAB9A
SCHEMBL27602806 0.80 KMT2A (0.53) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL21991457 0.79 MEN1 (0.46) MAPTKMT2AMEN1GAA
SCHEMBL17356419 0.79 KMT2A (0.39) MAPTSMN1; SMN2HTTNPC1RAB9A
SCHEMBL534004 0.79 ALDH2 (0.46) MAPTSMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL534003 0.79 ALDH2 (0.46) MAPTSMN1; SMN2KMT2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL28748216 0.79 KMT2A (0.52) MAPTSMN1; SMN2NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273741-B2 Imidazo-pyridazinyl compounds and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
US-8273741-B2 Imidazo-pyridazinyl compounds and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
US-8044049-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-25 US disclosed
US-8044049-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-25 US disclosed
US-8034812-B2 Imidazopyridazine derivative having kinase inhibitory activity and pharmaceutical agent thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-11 US disclosed
US-8034812-B2 Imidazopyridazine derivative having kinase inhibitory activity and pharmaceutical agent thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-11 US disclosed
US-20100273788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-28 US disclosed
US-20100273788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-28 US disclosed
US-20100168424-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-01 US disclosed
US-20100168424-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-01 US disclosed
US-20090306374-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-10 US disclosed
US-20090306374-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-10 US disclosed
CN-101541801-A Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL (JP) 2009-09-23 CN disclosed
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
WO-2008016192-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-07 WO disclosed
EP-0885198-B1 4-ANILINOQUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-12-19 EP disclosed
US-6291455-B1 PRODUCING AN ANTIANGIOGENIC AND/OR VASCULAR PERMEABILITY REDUCING EFFECT ZENECA LIMITED (GB) 2001-09-18 US disclosed
EP-0885198-A1 4-ANILINOQUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1998-12-23 EP disclosed
WO-1997032856-A1 4-ANILINOQUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1997-09-12 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 (4 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-20100273788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 MAPT 4269/4885SMN1; SMN2 4445/4885HTT 4176/4885
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 MAPT 4269/4885SMN1; SMN2 4445/4885HTT 4176/4885
US-20090306374-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 MAPT 4269/4885SMN1; SMN2 4445/4885HTT 4176/4885
US-20100168424-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 MAPT 4432/4885SMN1; SMN2 4469/4885HTT 4403/4885

“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.