SCHEMBL17064488

SCHEMBL17064488

O=C(/C=C/C1CC1)c1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
PFKFB3 Q16875 4/20 0.46
CYP1A1 P04798 9/20 0.44
CYP1A2 P05177 9/20 0.44
CYP2D6 P10635 9/20 0.44
CYP1B1 Q16678 9/20 0.44
GPR52 Q9Y2T5 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
NPY1R P25929 1/20 0.43
MAPK1 P28482 1/20 0.43
NPY2R P49146 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NAPRT Q6XQN6 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CYP2C8 P10632 1/20 0.41

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
SCHEMBL17064490 1.00 HTT (0.51) HTTPFKFB3CYP1A1CYP1A2CYP2D6
SCHEMBL17064498 0.81 MAPT (0.52) HTTCYP1B1GPR52ALDH1A1MAPT
SCHEMBL17064497 0.81 MAPT (0.52) HTTCYP1B1GPR52ALDH1A1MAPT
SCHEMBL17065076 0.80 CYP1A1 (0.56) CYP1A1CYP1A2CYP2D6CYP1B1GPR52
SCHEMBL17065077 0.80 CYP1A1 (0.56) CYP1A1CYP1A2CYP2D6CYP1B1GPR52
SCHEMBL6997673 0.80 HTT (0.67) HTTPFKFB3CYP1A1CYP1A2CYP2D6
SCHEMBL6997670 0.80 HTT (0.67) HTTPFKFB3CYP1A1CYP1A2CYP2D6
SCHEMBL1348383 0.77 CYP1A1 (0.54) CYP1A1CYP1B1
SCHEMBL3559782 0.77 CYP1A1 (0.54) CYP1A1CYP1B1
SCHEMBL18631397 0.77 HTT (0.51) HTTPFKFB3CYP1A1CYP1A2CYP2D6

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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4663636-A2 TRIFLUOROMETHYL SUBSTITUTED PYRAZOLES AS HUMAN PLASMA KALLIKREIN INHIBITORS BioCryst Pharmaceuticals, Inc. (US) 2025-12-17 EP disclosed
US-20250270171-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2025-08-28 US disclosed
US-20250257040-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2025-08-14 US disclosed
EP-4180424-B1 SUBSTITUTED PYRAZOLES AS HUMAN PLASMA KALLIKREIN INHIBITORS BIOCRYST PHARM INC (US) 2025-06-25 EP disclosed
CN-114591212-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2025-01-28 CN disclosed
US-12162838-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2024-12-10 US disclosed
US-12116346-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2024-10-15 US disclosed
CN-113307772-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2024-06-28 CN disclosed
US-20240150295-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-05-09 US disclosed
US-20240150296-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-05-09 US disclosed
US-20180362458-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2018-12-20 US disclosed
US-20180354906-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2018-12-13 US disclosed
US-10125102-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2018-11-13 US disclosed
US-20180258049-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2018-09-13 US disclosed
EP-3355890-A1 HUMAN PLASMA KALLIKREIN INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2018-08-08 EP disclosed
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-03-16 US disclosed
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-03-16 US disclosed
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-03-16 US disclosed
EP-3113772-A1 HUMAN PLASMA KALLIKREIN INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2017-01-11 EP disclosed
WO-2015134998-A1 HUMAN PLASMA KALLIKREIN INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2015-09-11 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 (11 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-20180354906-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 HTT 4390/4885PFKFB3 899/4885CYP1A1 1528/4885
US-12116346-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 HTT 4008/4885PFKFB3 1088/4885CYP1A1 1437/4885
US-20250270171-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 HTT 4008/4885PFKFB3 1088/4885CYP1A1 1437/4885
US-20240150296-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 HTT 4008/4885PFKFB3 1088/4885CYP1A1 1437/4885
US-10125102-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 HTT 4390/4885PFKFB3 899/4885CYP1A1 1528/4885
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 HTT 4390/4885PFKFB3 899/4885CYP1A1 1528/4885
US-20180362458-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 HTT 3834/4885PFKFB3 928/4885CYP1A1 1576/4885
US-20240150295-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 HTT 4008/4885PFKFB3 1088/4885CYP1A1 1437/4885
US-20250257040-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 HTT 4008/4885PFKFB3 1088/4885CYP1A1 1437/4885
US-20180258049-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 HTT 4390/4885PFKFB3 899/4885CYP1A1 1528/4885
US-12162838-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 HTT 4008/4885PFKFB3 1088/4885CYP1A1 1437/4885

“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.