SCHEMBL4987578

SCHEMBL4987578

COc1ccc(-n2nc(C(=O)N3CCC(F)(F)CC3)nc2-c2ccccn2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3R2 O00459 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
PIK3R5 Q8WYR1 1/20 0.39
PIK3R3 Q92569 1/20 0.39
GABRA5 P31644 3/20 0.38
HPGD P15428 4/20 0.38
USP2 O75604 1/20 0.37
THRB P10828 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
REN P00797 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP2C9 P11712 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
SCHEMBL4984385 0.91 RIPK1 (0.39) ALDH1A1TSHRPIK3CDPIK3R2PIK3CA
SCHEMBL5781022 0.88 HPGD (0.38) ALDH1A1TSHRPIK3CDPIK3R2PIK3CA
SCHEMBL5785036 0.88 PIK3CD (0.42) ALDH1A1TSHRPIK3CDPIK3R2PIK3CA
SCHEMBL5785686 0.88 HPGD (0.38) ALDH1A1TSHRPIK3CDPIK3R2PIK3CA
SCHEMBL4982158 0.87 HPGD (0.39) ALDH1A1TSHRPIK3CDPIK3R2PIK3CA
SCHEMBL5783378 0.87 LRRK2 (0.37) ALDH1A1TSHRPIK3CDPIK3R2PIK3CA
SCHEMBL4988846 0.86 ALDH1A1 (0.39) ALDH1A1TSHRPIK3CDPIK3R2PIK3CA
SCHEMBL4987425 0.85 HPGD (0.36) ALDH1A1TSHRPIK3CDPIK3R2PIK3CA
SCHEMBL4984335 0.85 NNMT (0.44) ALDH1A1TSHRPIK3CDPIK3R2PIK3CA
SCHEMBL4982219 0.85 HPGD (0.36) ALDH1A1TSHRPIK3CDPIK3R2PIK3CA

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 ALDH1A1 185/4885TSHR 2787/4885PIK3CD 3266/4885

“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.