SCHEMBL2053847

SCHEMBL2053847

Cc1ccc(OCCN(C)Cc2ccccc2)c(N)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
NPY1R P25929 1/20 0.56
NPY2R P49146 1/20 0.56
HTR1D P28221 1/20 0.54
HTR1B P28222 1/20 0.54
ATM Q13315 3/20 0.54
MAPT P10636 2/20 0.54
MAPK1 P28482 2/20 0.54
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.51
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 2/20 0.48
SLC6A4 P31645 1/20 0.48
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
PRMT8 Q9NR22 1/20 0.46

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
SCHEMBL5449802 0.79 CYP1A2 (0.55) KDM4EHTR1BATMMAPTKMT2A
SCHEMBL1987646 0.77 LMNA (0.54) KDM4ENPY1RNPY2RHTR1DHTR1B
SCHEMBL11681713 0.77 TSHR (0.77) HTR1DHTR1BATMKMT2AALDH1A1
SCHEMBL29503028 0.76 MAPT (0.53) MAPTMAPK1ALDH1A1GAASMN1; SMN2
SCHEMBL4647943 0.76 MAPT (0.53) MAPTMAPK1ALDH1A1GAASMN1; SMN2
SCHEMBL2032233 0.75 CYP1A2 (0.67) KDM4EHTR1BATMMAPTKMT2A
SCHEMBL11681701 0.74 TSHR (0.68) KDM4EHTR1DHTR1BATMKMT2A
SCHEMBL22517418 0.73 KDM4E (0.50) KDM4ENPY1RNPY2RHTR1DHTR1B
SCHEMBL8392274 0.73 GAA (0.61) KDM4EHTR1DHTR1BATMMAPT
SCHEMBL17682060 0.73 TSHR (0.81) KDM4EHTR1DHTR1BATMKMT2A

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-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-7067506-B2 Compounds useful for inhibiting Chk1 ICOS CORPORATION (US) 2006-06-27 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
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 (2 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 2395/4885NPY1R 4879/4885NPY2R 4877/4885
US-20030069284-A1 Compounds useful for inhibiting Chk1 CHEK1, PCNA, CHEK2 KDM4E 2395/4885NPY1R 4879/4885NPY2R 4877/4885

“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.