SCHEMBL7146685

SCHEMBL7146685

N=C(N)Nc1nc(C(=O)Nc2cccc(C(=O)NCCC(=O)OC(=O)C(F)(F)F)c2)cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.41
MAPT P10636 7/20 0.40
POLB P06746 2/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK1 P28482 2/20 0.37
IDE P14735 1/20 0.37
MAPK10 P53779 1/20 0.37
PAX8 Q06710 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
EPHX2 P34913 1/20 0.37
KDM4E B2RXH2 4/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PRSS1 P07477 1/20 0.36
CTSG P08311 1/20 0.36
CTRB1 P17538 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
Trifluoroacetic Acid SCHEMBL7145403 0.87 NR1H4 (0.45) NR1H4MAPTPOLBHTTCYP1A2
SCHEMBL7138490 0.86 L3MBTL1 (0.39) NR1H4MAPTPOLBHTTCYP1A2
SCHEMBL8062317 0.85 CLK1 (0.43) NR1H4MAPTPAX8NPC1RAB9A
SCHEMBL7136951 0.84 KIFC1 (0.47) NR1H4MAPTPOLBHTTCYP1A2
SCHEMBL7140555 0.72 ITGB3 (0.58) CLK1CLK4DYRK3CLK2DYRK1A
SCHEMBL7140557 0.72 ITGB3 (0.58) CLK1CLK4DYRK3CLK2DYRK1A
SCHEMBL7138480 0.72 CCKBR (0.40) NR1H4MAPTPOLBHTTCYP1A2
SCHEMBL9339453 0.72 KMT2A (0.44) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7144080 0.72 KDR (0.47) NR1H4MAPTHTTMAPK1PAX8
SCHEMBL7145262 0.71 KIFC1 (0.49) MAPTPOLBHTTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US claimed
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP disclosed
US-6344562-B1 ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2002-02-05 US disclosed
US-20020010316-A1 Thiazole derivatives ALIG LEO (CH) 2002-01-24 US disclosed
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 US disclosed
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US disclosed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP 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-20020010316-A1 Thiazole derivatives VCAM1, SOST, TGFB1 NR1H4 1236/4885MAPT 86/4885POLB 4007/4885

“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.