SCHEMBL4989859

SCHEMBL4989859

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OXTR P30559 9/20 0.39
AVPR1A P37288 7/20 0.39
KDM1A O60341 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
REN P00797 1/20 0.36
EGFR P00533 1/20 0.36
BTK Q06187 1/20 0.36
GABRA5 P31644 1/20 0.36
PIK3CD O00329 4/20 0.35
PIK3CA P42336 4/20 0.35
PIK3CB P42338 3/20 0.35
PIK3CG P48736 2/20 0.35
P2RX7 Q99572 1/20 0.35
PIK3R2 O00459 1/20 0.35
PIK3R5 Q8WYR1 1/20 0.35
PIK3R3 Q92569 1/20 0.35
APLNR P35414 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
SCHEMBL5784079 0.91 PIK3CD (0.37) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL5782323 0.88 HRH3 (0.41) OXTRAVPR1AKDM1ASMN1; SMN2REN
SCHEMBL4988825 0.88 HPGD (0.36) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL5785686 0.87 HPGD (0.38) OXTRAVPR1ASMN1; SMN2RENGABRA5
SCHEMBL4988846 0.87 ALDH1A1 (0.39) OXTRAVPR1APIK3CDPIK3CAPIK3CB
SCHEMBL14186820 0.82 OXTR (0.41) OXTRAVPR1ASMN1; SMN2GABRA5P2RX7
SCHEMBL4984447 0.81 OXTR (0.41) OXTRAVPR1ASMN1; SMN2GABRA5P2RX7
SCHEMBL4984451 0.80 OXTR (0.40) OXTRAVPR1ASMN1; SMN2GABRA5P2RX7
SCHEMBL4987250 0.79 BRD4 (0.42) KDM1APIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5785285 0.79 KMT2A (0.43) OXTRAVPR1ASMN1; SMN2GABRA5P2RX7

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 OXTR 2187/4885AVPR1A 548/4885KDM1A 1692/4885

“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.