SCHEMBL5785686

SCHEMBL5785686

COc1ccc(-n2nc(C(=O)N3CCC(F)(F)CC3)nc2-c2ccc(F)cn2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
REN P00797 1/20 0.36
GABRA5 P31644 2/20 0.36
OXTR P30559 4/20 0.36
AVPR1A P37288 2/20 0.36
P2RX7 Q99572 1/20 0.36
F12 P00748 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3R2 O00459 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
PIK3R5 Q8WYR1 1/20 0.35
PIK3R3 Q92569 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
GRM5 P41594 1/20 0.35
LRRK2 Q5S007 1/20 0.34
HTR1A P08908 1/20 0.34

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
SCHEMBL5781022 0.92 HPGD (0.38) HPGDRENGABRA5PIK3CDPIK3R2
SCHEMBL5783378 0.90 LRRK2 (0.37) HPGDRENGABRA5P2RX7F12
SCHEMBL5782323 0.89 HRH3 (0.41) SMN1; SMN2RENGABRA5OXTRAVPR1A
SCHEMBL4982158 0.89 HPGD (0.39) HPGDRENGABRA5OXTRAVPR1A
SCHEMBL4982219 0.89 HPGD (0.36) HPGDRENGABRA5PIK3CDPIK3R2
SCHEMBL4984335 0.89 NNMT (0.44) HPGDRENGABRA5PIK3CDPIK3R2
SCHEMBL4987425 0.89 HPGD (0.36) HPGDGABRA5OXTRAVPR1APIK3CD
SCHEMBL4990225 0.88 HPGD (0.36) HPGDRENGABRA5PIK3CDPIK3R2
SCHEMBL4987578 0.88 ALDH1A1 (0.39) HPGDSMN1; SMN2RENGABRA5PIK3CD
SCHEMBL4989859 0.87 OXTR (0.39) SMN1; SMN2RENGABRA5OXTRAVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 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-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 HPGD 19/4885SMN1; SMN2 3027/4885REN 279/4885

“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.