SCHEMBL2033423

SCHEMBL2033423

Cc1ccc(OCCN2CCCC2)c(NC(=O)Nc2cnc(C)cn2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 4/20 0.52
▸ HTR2C P28335 4/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ KDM4E B2RXH2 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ LMNA P02545 1/20 0.45
▸ CHEK1 O14757 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ MCHR1 Q99705 1/20 0.45
▸ PDGFRB P09619 1/20 0.44
▸ KDR P35968 1/20 0.44

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
SCHEMBL2033544 0.96 KDM4E (0.50) HTR2AHTR2CSMN1; SMN2KDM4EALDH1A1
SCHEMBL2035055 0.94 KDM4E (0.53) HTR2AHTR2CSMN1; SMN2KDM4EALDH1A1
SCHEMBL2038573 0.91 MAPK14 (0.53) HTR2AHTR2CKDM4ECHEK1PDGFRB
SCHEMBL2032541 0.86 KDM4E (0.52) HTR2AHTR2CSMN1; SMN2KDM4EALDH1A1
SCHEMBL14517910 0.85 MEN1 (0.48) HTR2AHTR2CSMN1; SMN2KDM4EMEN1
SCHEMBL2033760 0.84 CHRM3 (0.47) KDM4ECHEK1
SCHEMBL12643386 0.82 CHEK1 (0.59) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL2035469 0.82 KDM4E (0.51) SMN1; SMN2KDM4EMEN1KMT2ALMNA
SCHEMBL2034352 0.82 KDM4E (0.51) KDM4EALDH1A1CHEK1
SCHEMBL2030227 0.82 CHRNB2 (0.46) KDM4ECHEK1MCHR1

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 11 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
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-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
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-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
US-20030069284-A1 Compounds useful for inhibiting Chk1 ICOS CORPORATION (A WASHINGTON CORPORATION) 2003-04-10 — — US 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 HTR2A 4354/4885HTR2C 4228/4885SMN1; SMN2 2435/4885
US-20050245525-A1 Compounds useful for inhibiting CHK1 CHEK1, PCNA, CHEK2 HTR2A 4354/4885HTR2C 4228/4885SMN1; SMN2 2435/4885
US-20030069284-A1 Compounds useful for inhibiting Chk1 CHEK1, PCNA, CHEK2 HTR2A 4354/4885HTR2C 4228/4885SMN1; SMN2 2435/4885

“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.

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