SCHEMBL4984582

SCHEMBL4984582

Cc1ccc(-n2nc(C(=O)NC(C)(C)C)nc2-c2ccccn2)cn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
PDE4B Q07343 1/20 0.39
KDM4E B2RXH2 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 1/20 0.37
RIPK1 Q13546 1/20 0.37
GRM5 P41594 1/20 0.36
LMNA P02545 2/20 0.36
ESR1 P03372 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL4988249 0.89 KMT2A (0.46) ATMKDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL14470247 0.89 KMT2A (0.37) ATMPDE4BKDM4ESMN1; SMN2HPGD
SCHEMBL4990652 0.88 HPGDS (0.40) KDM4ESMN1; SMN2HPGDHSD17B10ALDH1A1
SCHEMBL4986649 0.86 SYK (0.36) KDM4ESMN1; SMN2HPGDHSD17B10ALDH1A1
SCHEMBL4982026 0.84 SMN1; SMN2 (0.49) PDE4BKDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL14470068 0.82 KDM4E (0.35) KDM4ESMN1; SMN2HPGDHSD17B10ALDH1A1
SCHEMBL14186838 0.82 FEN1 (0.42) KDM4ESMN1; SMN2HPGDHSD17B10ALDH1A1
SCHEMBL5512369 0.82 CNR1 (0.41) ATMPDE4BSMN1; SMN2RIPK1NPC1
SCHEMBL4987389 0.78 HPGDS (0.37) SMN1; SMN2HPGDALDH1A1KMT2ALMNA
SCHEMBL4989915 0.78 KMT2A (0.43) KDM4ESMN1; SMN2HPGDHSD17B10ALDH1A1

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
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
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 ATM 3323/4885PDE4B 408/4885KDM4E 3802/4885

“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.