SCHEMBL3312869

SCHEMBL3312869

COc1cc(CNCc2cccs2)ccc1NC(=O)Nc1cnc(C)cn1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 16/20 0.66
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C19 P33261 2/20 0.53
MAPT P10636 1/20 0.53
CYP3A4 P08684 1/20 0.50

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
SCHEMBL12184174 0.87 CHEK1 (0.85) CHEK1
SCHEMBL3315134 0.85 CHEK1 (0.66) CHEK1
SCHEMBL2031508 0.85 CHEK1 (0.77) CHEK1
SCHEMBL3316526 0.85 CHEK1 (0.60) CHEK1CYP1A2CYP2C19MAPTCYP3A4
SCHEMBL3316728 0.84 CHEK1 (0.77) CHEK1MAPT
SCHEMBL7052493 0.84 CHEK1 (0.77) CHEK1
SCHEMBL3310546 0.84 CHEK1 (0.66) CHEK1
SCHEMBL2035036 0.83 CHEK1 (0.66) CHEK1
SCHEMBL3315590 0.83 CHEK1 (0.59) CHEK1MAPT
SCHEMBL2031750 0.82 CHEK1 (0.69) CHEK1

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-20100105683-A1 COMPOUNDS USEFUL FOR INHIBITING CHK1 KEEGAN KATHLEEN S 2010-04-29 US disclosed
US-20100105683-A1 COMPOUNDS USEFUL FOR INHIBITING CHK1 KEEGAN KATHLEEN S 2010-04-29 US disclosed
US-20100105683-A1 COMPOUNDS USEFUL FOR INHIBITING CHK1 KEEGAN KATHLEEN S 2010-04-29 US disclosed
US-7608618-B2 Urea or thiourea substituted 1,4-pyrazine compounds useful as anti-cancer agents and for inhibiting Chk1 ICOS CORPORATION (US) 2009-10-27 US disclosed
US-7608618-B2 Urea or thiourea substituted 1,4-pyrazine compounds useful as anti-cancer agents and for inhibiting Chk1 ICOS CORPORATION (US) 2009-10-27 US disclosed
EP-1379510-A1 ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHAMOSENSITIZERS ICOS CORPORATION (US) 2004-01-14 EP disclosed
WO-2002070494-A1 ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHAMOSENSITIZERS ICOS CORPORATION (US) 2002-09-12 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 (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-20100105683-A1 COMPOUNDS USEFUL FOR INHIBITING CHK1 CHEK1, PCNA, CHEK2 CHEK1 1/4885CYP1A2 4082/4885CYP2D6 3257/4885

“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.