SCHEMBL5465795

SCHEMBL5465795

[CH2]Cc1cccc(-c2ccncc2)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.67
PRMT6 Q96LA8 2/20 0.61
HRH3 Q9Y5N1 2/20 0.53
NOTUM Q6P988 1/20 0.48
KIF11 P52732 1/20 0.47
CYP11B1 P15538 5/20 0.46
CYP11B2 P19099 5/20 0.46
CYP17A1 P05093 4/20 0.46
CYP3A4 P08684 3/20 0.46
CYP19A1 P11511 2/20 0.46
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
WNT3A P56704 1/20 0.44
ABHD6 Q9BV23 1/20 0.43
EPHX2 P34913 1/20 0.41
DHFR P00374 1/20 0.41
MGLL Q99685 1/20 0.41
LSS P48449 1/20 0.40
AGXT P21549 1/20 0.40

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
SCHEMBL330073 0.83 AGXT (0.55) PRKCIHRH3CYP11B1CYP11B2CYP19A1
SCHEMBL12641313 0.80 PRKCI (0.67) PRKCIPRMT6HRH3NOTUMKIF11
SCHEMBL10066929 0.80 PRKCI (0.67) PRKCIPRMT6HRH3NOTUMKIF11
SCHEMBL2883387 0.80 PRKCI (0.67) PRKCIPRMT6HRH3NOTUMKIF11
SCHEMBL301749 0.80 PRKCI (0.67) PRKCIPRMT6HRH3NOTUMKIF11
SCHEMBL12641314 0.80 PRKCI (1.00) PRKCIPRMT6HRH3NOTUMKIF11
SCHEMBL5458321 0.78 ATM (0.48) PRKCIPRMT6HRH3CYP19A1EPHX2
Hydrochloric Acid SCHEMBL972408 0.78 PRKCI (0.65) PRKCIPRMT6HRH3NOTUMKIF11
Hydrochloric Acid SCHEMBL970902 0.78 PRKCI (0.65) PRKCIPRMT6HRH3NOTUMKIF11
SCHEMBL15411832 0.78 NOTUM (0.68) PRKCIPRMT6HRH3NOTUMKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099958-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-05-03 US claimed
EP-1638925-A1 PROTEASE INHIBITORS Prozymex A/S (DK) 2006-03-29 EP claimed
WO-2004110988-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-23 WO claimed
US-20070099958-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-05-03 US disclosed
EP-1638925-A1 PROTEASE INHIBITORS Prozymex A/S (DK) 2006-03-29 EP disclosed
WO-2004110988-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-23 WO 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-20070099958-A1 Protease inhibitors CTSC, DPP7, BACE1 PRKCI 489/4885PRMT6 705/4885HRH3 2582/4885

“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.