SCHEMBL3368569

SCHEMBL3368569

N=C(N)c1cc(F)cc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 6/20 0.50
PRSS3 P35030 5/20 0.50
PRSS2 P07478 4/20 0.50
C1S P09871 3/20 0.50
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
F2 P00734 5/20 0.42
F10 P00742 1/20 0.42
F12 P00748 1/20 0.42
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
PKM P14618 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
PLAU P00749 3/20 0.40
LMNA P02545 1/20 0.40
BLM P54132 1/20 0.40
MASP2 O00187 1/20 0.40
THPO P40225 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
Hydrochloric Acid SCHEMBL1436209 0.97 PRSS1 (0.48) PRSS1PRSS3PRSS2C1SCES2
Hydrochloric Acid SCHEMBL1436059 0.95 PRSS1 (0.46) PRSS1PRSS3PRSS2C1SCES2
SCHEMBL10144276 0.84 PRSS1 (0.71) PRSS1PRSS3PRSS2C1SCES2
SCHEMBL4088949 0.80 CES2 (0.42) PRSS1PRSS3PRSS2C1SCES2
SCHEMBL13948235 0.78 PRSS1 (0.63) PRSS1PRSS3PRSS2C1SF2
SCHEMBL12634680 0.76 CES2 (0.50) PRSS1PRSS3PRSS2C1SCES2
SCHEMBL428330 0.75 PARP1 (0.63) PRSS1PRSS3PRSS2C1SCES2
SCHEMBL18300451 0.74 PRSS1 (0.46) PRSS1PRSS3PRSS2C1SF2
Hydrochloric Acid SCHEMBL5115579 0.74 CES2 (0.48) PRSS1PRSS3PRSS2C1SCES2
Hydrochloric Acid SCHEMBL23540425 0.74 PRSS1 (0.61) PRSS1PRSS3PRSS2C1SCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024086246-A2 2-SUBSTITUTED 3,4 A, 5, 7, 8, 8 A-HEXAHYDRO-4H-THIOP YRANO [4,3- DJPYRIMIDIN-4-ONES FOR WOUND TREATMENT Eluciderm Inc. (US) 2024-04-25 WO disclosed
CN-106574114-B Curable organopolysiloxane composition 瓦克化学股份公司 2019-10-15 CN disclosed
US-10301433-B2 Curable organopolysiloxane compositions WACKER CHEMIE AG (DE) 2019-05-28 US disclosed
US-10227362-B2 Anti-pulmonary tuberculosis nitroimidazole derivative MEDSHINE DISCOVERY INC. (CN) 2019-03-12 US disclosed
US-10227362-B2 Anti-pulmonary tuberculosis nitroimidazole derivative MEDSHINE DISCOVERY INC. (CN) 2019-03-12 US disclosed
EP-3172178-B1 CURABLE ORGANOPOLYSILOXANE COMPOSITIONS WACKER CHEMIE AG (DE) 2018-09-12 EP disclosed
US-20180162878-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE MEDSHINE DISCOVERY INC. (CN) 2018-06-14 US disclosed
US-20180162878-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE MEDSHINE DISCOVERY INC. (CN) 2018-06-14 US disclosed
US-20180162878-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE MEDSHINE DISCOVERY INC. (CN) 2018-06-14 US disclosed
EP-3252059-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE Medshine Discovery Inc. (CN) 2017-12-06 EP disclosed
CN-1324015-C Pyridine and pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2007-07-04 CN disclosed
US-7022718-B2 Pyridine and pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2006-04-04 US disclosed
CN-1713907-A N-substituted pyrrolidine derivatives as dipeptidyl peptidase IV inhibitors HOFFMANN LA ROCHE (CH) 2005-12-28 CN disclosed
US-20050143405-A1 Pyridine and pyrimidine derivatives BOEHRINGER MARKUS (CH) 2005-06-30 US disclosed
CN-1630644-A Novel pyridine and pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2005-06-22 CN disclosed
US-6867205-B2 Pyridine and pyrimidine derivatives HOFFMAN-LA ROCHE INC. (US) 2005-03-15 US disclosed
EP-1476435-A1 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-11-17 EP disclosed
WO-2003068757-A9 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-10-07 WO disclosed
US-20030216382-A1 Pyridine and pyrimidine derivatives HOFFMAN-LA ROCHE INC. 2003-11-20 US disclosed
WO-2003068757-A1 NOVEL PYRIDIN- AND PYRIMIDIN-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-21 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 (4 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-20030216382-A1 Pyridine and pyrimidine derivatives DPP4, GPR119, G6PC1 PRSS1 283/4885PRSS3 555/4885PRSS2 1024/4885
US-20180162878-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE NDUFV1, NDUFV2, MT-ND4 PRSS1 4035/4885PRSS3 3752/4885PRSS2 4161/4885
US-20050143405-A1 Pyridine and pyrimidine derivatives DPP4, GPR119, PDXK PRSS1 217/4885PRSS3 372/4885PRSS2 895/4885
US-10227362-B2 Anti-pulmonary tuberculosis nitroimidazole derivative NDUFV1, NDUFV2, MT-ND4 PRSS1 4035/4885PRSS3 3752/4885PRSS2 4161/4885

“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.