SCHEMBL8544149

SCHEMBL8544149

CCOC(=O)c1cc(N)cc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAOA P21397 1/20 0.51
NOTUM Q6P988 1/20 0.49
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA7 P43166 3/20 0.49
CA9 Q16790 3/20 0.49
CA14 Q9ULX7 3/20 0.49
ATF1 P18846 1/20 0.46
NFKB1 P19838 1/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46

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
SCHEMBL1996172 0.89 CA12 (0.56) LMNACYP1A2CYP3A4MAOANOTUM
SCHEMBL583220 0.86 NPC1 (0.56) NPC1LMNACYP1A2CYP3A4MAOA
SCHEMBL2810136 0.83 NPC1 (0.68) NPC1LMNACYP1A2CYP3A4MAOA
SCHEMBL1278720 0.83 NPC1 (0.68) NPC1LMNACYP1A2CYP3A4MAOA
SCHEMBL13168235 0.83 CA12 (0.69) CYP3A4NOTUMCA12CA1CA2
SCHEMBL671602 0.83 NOTUM (0.71) LMNACYP1A2CYP3A4MAOANOTUM
SCHEMBL4829568 0.83 CA12 (0.50) NOTUMCA12CA1CA2CA7
SCHEMBL630490 0.82 NOTUM (0.66) LMNANOTUMCA12CA1CA2
SCHEMBL9967387 0.82 NOTUM (0.47) LMNACYP1A2CYP3A4MAOANOTUM
SCHEMBL16729317 0.82 NOTUM (0.47) LMNACYP1A2CYP3A4MAOANOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530193-B2 Kinase inhibitors THE UNIVERSITY OF MANCHESTER (GB) 2022-12-20 US disclosed
EP-3793996-A1 KINASE INHIBITORS The University of Manchester (GB) 2021-03-24 EP disclosed
CN-112119077-A Kinase inhibitors 曼彻斯特大学 2020-12-22 CN disclosed
US-20100240642-A1 1H-Indole-2-Carboxylic Acid Derivatives Useful As PPAR Modulators SMITHKLINE BEECHAM CORPORATION (US) 2010-09-23 US disclosed
WO-2008028118-A1 1H-INDOLE-2-CARBOXYLIC ACID DERIVATIVES USEFUL AS PPAR MODULATORS SMITHKLINE BEECHAM CORPORAITON (US) 2008-03-06 WO disclosed
US-5811428-A ADMINISTERING FOR THE TREATMENT AND PREVENTION OF IMMUNOINFLAMMATORY AND AUTOIMMUNE DISEASES SIGNAL PHARMACEUTICALS, INC. (US) 1998-09-22 US disclosed
EP-0850228-A1 PYRIMIDINE CARBOXAMIDES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1998-07-01 EP disclosed
WO-1997009315-A1 PYRIMIDINE CARBOXAMIDES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1997-03-13 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-11530193-B2 Kinase inhibitors CAMKK2, CAMK1, CAMKK1 NPC1 4236/4885LMNA 4006/4885CYP1A2 2552/4885
US-20100240642-A1 1H-Indole-2-Carboxylic Acid Derivatives Useful As PPAR Modulators PPARD, PPARA, PPARG NPC1 1955/4885LMNA 3033/4885CYP1A2 216/4885

“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.