SCHEMBL4986649

SCHEMBL4986649

Cc1ccc(-c2nc(C(=O)NC(C)(C)C)nn2-c2ccc(C)nc2)nc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.36
KDM4E B2RXH2 3/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
PTGS2 P35354 3/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34
ALDH1A1 P00352 5/20 0.34
RIPK1 Q13546 1/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL4990555 0.88 MEN1 (0.38) SYKPTGS2SMN1; SMN2
SCHEMBL4989915 0.87 KMT2A (0.43) SYKKDM4EMAPTNPSR1HPGD
SCHEMBL4984582 0.86 ATM (0.39) KDM4ENPSR1HPGDSMN1; SMN2HSD17B10
SCHEMBL14186838 0.85 FEN1 (0.42) SYKKDM4ENPSR1PTGS2HPGD
SCHEMBL4992361 0.84 SMN1; SMN2 (0.44) KDM4EMAPTNPSR1PTGS2HPGD
SCHEMBL14470068 0.83 KDM4E (0.35) SYKKDM4EMAPTNPSR1PTGS2
SCHEMBL27699657 0.81 ALDH1A1 (0.42) KDM4ESMN1; SMN2P2RX3P2RX2ALDH1A1
SCHEMBL4990274 0.79 MEN1 (0.38) PTGS2SMN1; SMN2
SCHEMBL4984634 0.78 MEN1 (0.37) PTGS2SMN1; SMN2
SCHEMBL4987655 0.78 P2RX7 (0.39) MAPTPTGS2SMN1; SMN2LMNA

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 SYK 1595/4885KDM4E 3802/4885MAPT 4736/4885

“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.