SCHEMBL4988249

SCHEMBL4988249

CC(C)(C)NC(=O)c1nc(-c2ccccn2)n(-c2cccnc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
CNR1 P21554 3/20 0.41
CNR2 P34972 3/20 0.41
KDM4E B2RXH2 5/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 1/20 0.40
RIPK1 Q13546 1/20 0.39
F2 P00734 1/20 0.39
F12 P00748 1/20 0.39
ESR1 P03372 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2A6 P11509 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL4984582 0.89 ATM (0.39) KMT2AKDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL4989915 0.88 KMT2A (0.43) KMT2ACNR1CNR2KDM4EHPGD
SCHEMBL4990652 0.84 HPGDS (0.40) KMT2AKDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL4984561 0.83 SMN1; SMN2 (0.53) KMT2AKDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL27699659 0.82 KMT2A (0.50) KMT2AKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL14470247 0.79 KMT2A (0.37) KMT2ACNR1CNR2KDM4EHPGD
SCHEMBL14470246 0.79 CYP2A6 (0.38) KMT2ACNR1CNR2KDM4ESMN1; SMN2
SCHEMBL4987004 0.76 KMT2A (0.39) KMT2ACNR1KDM4ESMN1; SMN2MAPT
SCHEMBL4986649 0.75 SYK (0.36) KDM4EHPGDSMN1; SMN2HSD17B10RIPK1
SCHEMBL4987389 0.74 HPGDS (0.37) KMT2AHPGDSMN1; SMN2F2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
US-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 EP 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 (1 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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R KMT2A 3245/4885CNR1 24/4885CNR2 18/4885

“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.