SCHEMBL7145262

SCHEMBL7145262

Cc1nc(NC(=N)N)sc1C(=O)Nc1cccc(C(=O)NCCC(=O)OC(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIFC1 Q9BW19 7/20 0.49
LCK P06239 3/20 0.46
KDM4E B2RXH2 2/20 0.45
MAPT P10636 3/20 0.45
CLK1 P49759 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
HTT P42858 1/20 0.45
PKM P14618 1/20 0.44
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 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
SCHEMBL7136951 0.88 KIFC1 (0.47) KIFC1KDM4EMAPTCLK1KMT2A
Trifluoroacetic Acid SCHEMBL7136945 0.85 KIFC1 (0.47) KIFC1KDM4EMAPTCLK1KMT2A
SCHEMBL7138490 0.84 L3MBTL1 (0.39) MAPTCLK1POLBSMN1; SMN2CYP1A2
SCHEMBL7143661 0.81 ALDH1A1 (0.65) LCKKDM4EMAPTCLK1KMT2A
SCHEMBL3610173 0.80 ALDH1A1 (0.60) LCKKDM4EMAPTCLK1KMT2A
SCHEMBL3606993 0.79 KMT2A (0.54) KIFC1KDM4EMAPTCLK1KMT2A
SCHEMBL27492388 0.79 SMN1; SMN2 (0.47) KIFC1LCKKDM4EMAPTCLK1
SCHEMBL7453096 0.76 LMNA (0.48) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL7140503 0.74 ALDH1A1 (0.49) KIFC1KDM4EMAPTCLK1KMT2A
SCHEMBL7138480 0.73 CCKBR (0.40) MAPTKMT2AMEN1POLBCYP1A2

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
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 KIFC1 3379/4885LCK 1715/4885KDM4E 4278/4885

“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.