SCHEMBL17789700

SCHEMBL17789700

[2H]C([2H])([2H])OCC1(C)CCCN1C(=O)c1nn(-c2ccsc2)c2c1COc1cc(OC)ccc1-2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 4/20 0.35
▸ PIK3R2 O00459 4/20 0.35
▸ PIK3CA P42336 4/20 0.35
▸ PIK3CB P42338 4/20 0.35
▸ PIK3CG P48736 4/20 0.35
▸ PIK3R5 Q8WYR1 4/20 0.35
▸ PIK3R3 Q92569 4/20 0.35
▸ GPR55 Q9Y2T6 3/20 0.33
▸ UGCG Q16739 3/20 0.33
▸ ALDH1A1 P00352 5/20 0.32
▸ MAPT P10636 4/20 0.32
▸ HPGD P15428 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALOX15 P16050 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ CASP1 P29466 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
SCHEMBL16339832 0.96 PIK3CD (0.36) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL16334069 0.92 PIK3CD (0.36) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL22626442 0.92 PIK3CD (0.34) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL24519337 0.91 PIK3CD (0.34) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL17789658 0.86 ADRA2A (0.30) —
SCHEMBL17789699 0.86 — —
SCHEMBL17789701 0.85 — —
SCHEMBL16377847 0.81 PIK3CD (0.42) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL16377695 0.78 ADRA2A (0.31) —
SCHEMBL22626532 0.78 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2016-06-02 — — 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 (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-20160152626-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR PIK3CD 927/4885PIK3R2 274/4885PIK3CA 1255/4885

“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.

Send feedback