SCHEMBL2037519

SCHEMBL2037519

Cc1ccc(OC(C)C2CCCNC2)c(N)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
SLC6A2 P23975 7/20 0.35
SLC6A4 P31645 7/20 0.35
SLC6A3 Q01959 3/20 0.35
JAK2 O60674 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34

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
SCHEMBL2031773 0.85 ALDH1A1 (0.45) ALDH1A1CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL28766873 0.83 HTR2A (0.47) SLC6A2SLC6A4
SCHEMBL5164769 0.80 HTR2A (0.36) ALDH1A1JAK2IRAK4
SCHEMBL5165887 0.79 IKBKB (0.33) SLC6A2SLC6A4SLC6A3JAK2IRAK4
SCHEMBL6897901 0.79 CYP3A4 (0.41) ALDH1A1CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL8791343 0.79 ALOX15 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL2028286 0.76 ALDH1A1 (0.44) ALDH1A1CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL2035482 0.75 MEN1 (0.41) ALDH1A1CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL3184582 0.74 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL6599442 0.73 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379510-B1 ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHEMOSENSITIZERS ICOS CORP (US) 2011-06-01 EP 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
CN-100374425-C Aryl and heteroaryl urea CHK1 inhibitors for use as radiosensitizers and chamosensitizers YILE LILY CO LTD (US) 2008-03-12 CN disclosed
US-7067506-B2 Compounds useful for inhibiting Chk1 ICOS CORPORATION (US) 2006-06-27 US disclosed
US-20050245525-A1 Compounds useful for inhibiting CHK1 ICOS CORPORATION (US) 2005-11-03 US disclosed
CN-1507436-A Aryl and heteroaryl urea CHK1 inhibitors for use as radiosensitizers and chamosensitizers 2004-06-23 CN disclosed
EP-1379510-A1 ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHAMOSENSITIZERS ICOS CORPORATION (US) 2004-01-14 EP disclosed
US-20030069284-A1 Compounds useful for inhibiting Chk1 ICOS CORPORATION (A WASHINGTON CORPORATION) 2003-04-10 US 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 (3 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 ALDH1A1 3047/4885CYP3A4 4040/4885SLC6A2 4292/4885
US-20050245525-A1 Compounds useful for inhibiting CHK1 CHEK1, PCNA, CHEK2 ALDH1A1 3047/4885CYP3A4 4040/4885SLC6A2 4292/4885
US-20030069284-A1 Compounds useful for inhibiting Chk1 CHEK1, PCNA, CHEK2 ALDH1A1 3047/4885CYP3A4 4040/4885SLC6A2 4292/4885

“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.