SCHEMBL2035055

SCHEMBL2035055

Cc1ccc(OCCCN2CCCCC2)c(NC(=O)Nc2cnc(C)cn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ HTR2A P28223 2/20 0.49
▸ HTR2C P28335 2/20 0.49
▸ KDR P35968 3/20 0.48
▸ PDGFRB P09619 2/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CHEK1 O14757 2/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45
▸ FLT4 P35916 2/20 0.44
▸ FLT1 P17948 1/20 0.44
▸ RPS6KB1 P23443 1/20 0.44
▸ FLT3 P36888 1/20 0.44
▸ RPS6KA3 P51812 1/20 0.44
▸ PRKAA1 Q13131 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
SCHEMBL2033423 0.94 HTR2A (0.52) KDM4EALDH1A1L3MBTL1TSHRHTT
SCHEMBL2032541 0.90 KDM4E (0.52) KDM4EALDH1A1L3MBTL1HTTHTR2A
SCHEMBL2033544 0.90 KDM4E (0.50) KDM4EALDH1A1HTR2AHTR2CKDR
SCHEMBL2038573 0.85 MAPK14 (0.53) KDM4EHTR2AHTR2CKDRPDGFRB
SCHEMBL2035469 0.83 KDM4E (0.51) KDM4EHTTMEN1KMT2ASMN1; SMN2
SCHEMBL2033760 0.82 CHRM3 (0.47) KDM4ECHEK1
SCHEMBL12643386 0.81 CHEK1 (0.59) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL6261884 0.81 GAA (0.52) KDM4EALDH1A1TSHRHTR2AHTR2C
SCHEMBL2034352 0.81 KDM4E (0.51) KDM4EALDH1A1CHEK1HRH3
SCHEMBL2030227 0.80 CHRNB2 (0.46) KDM4ECHEK1

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-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 KDM4E 2395/4885ALDH1A1 3047/4885L3MBTL1 310/4885
US-20050245525-A1 Compounds useful for inhibiting CHK1 CHEK1, PCNA, CHEK2 KDM4E 2395/4885ALDH1A1 3047/4885L3MBTL1 310/4885
US-20030069284-A1 Compounds useful for inhibiting Chk1 CHEK1, PCNA, CHEK2 KDM4E 2395/4885ALDH1A1 3047/4885L3MBTL1 310/4885

“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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