SCHEMBL2036624

SCHEMBL2036624

COc1cc(CCNCc2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 1/20 0.53
CYP2C19 P33261 3/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
HTT P42858 2/20 0.52
POLB P06746 1/20 0.52
KCNH2 Q12809 1/20 0.52
CYP2C9 P11712 1/20 0.52
ALDH1A1 P00352 5/20 0.52
ATM Q13315 1/20 0.51
GLA P06280 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
HTR2A P28223 1/20 0.51
BCHE P06276 2/20 0.50
CYP1A2 P05177 1/20 0.50
LMNA P02545 1/20 0.49

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
SCHEMBL2033918 0.90 KDM4E (0.53) KDM4EMEN1KMT2AMAPTHTT
SCHEMBL27173101 0.84 HTR2A (0.64) KDM4EMEN1KMT2ACYP2C19CYP3A4
SCHEMBL1966824 0.81 KDM4E (0.74) KDM4EMEN1KMT2ACYP2C19CYP3A4
SCHEMBL14768412 0.81 HTR2A (0.54) KDM4EMEN1KMT2ACYP2C19CYP3A4
SCHEMBL7594827 0.81 KMT2A (0.56) KDM4EMEN1KMT2AMAPTCYP2C19
SCHEMBL4096498 0.81 ALDH1A1 (0.63) KDM4EMEN1KMT2AMAPTCYP2C19
SCHEMBL7279400 0.80 ALDH1A1 (0.72) KDM4EMEN1KMT2ACYP2C19CYP3A4
Hydrochloric Acid SCHEMBL11451398 0.80 KDM4E (0.72) KDM4EMEN1KMT2ACYP2C19CYP3A4
SCHEMBL27856352 0.80 ALDH1A1 (0.56) MAPTHTTALDH1A1NPC1RAB9A
SCHEMBL7840693 0.79 KDM4E (0.57) KDM4EMEN1KMT2AHTTPOLB

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 4 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
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 (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 2395/4885MEN1 1983/4885KMT2A 1546/4885
US-20030069284-A1 Compounds useful for inhibiting Chk1 CHEK1, PCNA, CHEK2 KDM4E 2395/4885MEN1 1983/4885KMT2A 1546/4885

“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.