SCHEMBL8307718

SCHEMBL8307718

Cc1ccc(C(=N)N)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.67
PRSS2 P07478 2/20 0.67
PRSS3 P35030 2/20 0.67
LMNA P02545 2/20 0.48
CYP3A4 P08684 1/20 0.48
C1S P09871 1/20 0.45
F2 P00734 4/20 0.44
F10 P00742 3/20 0.44
PLAU P00749 4/20 0.44
PLG P00747 2/20 0.44
KLKB1 P03952 1/20 0.44
KLK1 P06870 1/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
CHRNA1 P02708 1/20 0.42

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
SCHEMBL14099339 0.83 PRSS1 (0.67) PRSS1PRSS2PRSS3LMNAC1S
Hydrochloric Acid SCHEMBL5125374 0.82 PRSS1 (0.64) PRSS1PRSS2PRSS3LMNAC1S
SCHEMBL10436207 0.80 LMNA (0.54) PRSS1PRSS2PRSS3LMNAF2
SCHEMBL8404520 0.80 PRSS1 (1.00) PRSS1PRSS2PRSS3LMNAC1S
SCHEMBL1755245 0.79 HPGD (0.51) CYP3A4HPGDMAPTCHRNA1CHRNG
Hydrochloric Acid SCHEMBL11798099 0.78 LMNA (0.58) PRSS1PRSS2PRSS3LMNAF2
Hydrochloric Acid SCHEMBL5118627 0.78 PRSS1 (0.95) PRSS1PRSS2PRSS3LMNAC1S
Hydrochloric Acid SCHEMBL27585336 0.78 HPGD (0.50) CYP3A4HPGDMAPTCHRNA1CHRNG
Benzene SCHEMBL9187949 0.77 TSHR (0.54) PRSS1PRSS2PRSS3LMNAC1S
SCHEMBL395482 0.77 PRSS1 (0.69) PRSS1PRSS2PRSS3LMNAC1S

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021113698-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2021-06-10 WO disclosed
WO-2021113690-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2021-06-10 WO disclosed
WO-2021113682-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2021-06-10 WO disclosed
WO-2021113686-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2021-06-10 WO disclosed
US-20190307737-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-10-10 US disclosed
EP-3227282-B1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-04-03 EP disclosed
US-10172843-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-01-08 US disclosed
US-20170266175-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-09-21 US disclosed
CN-1044809-C Herbicidal aryl and heteroaryl pyrimidines SANDOZ LTD (CH) 1999-08-25 CN disclosed
EP-0739341-B1 HERBICIDAL ARYL AND HETEROARYL PYRIMIDINES NOVARTIS AG (CH) 1999-06-02 EP disclosed
CN-1138859-A Herbicidal aryl and heteroaryl pyrimidines SANDOZ LTD (CH) 1996-12-25 CN disclosed
EP-0739341-A1 HERBICIDAL ARYL AND HETEROARYL PYRIMIDINES Novartis AG (CH) 1996-10-30 EP disclosed
WO-1995019358-A1 HERBICIDAL ARYL AND HETEROARYL PYRIMIDINES SANDOZ LTD. (CH) 1995-07-20 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 (3 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-20190307737-A1 NOVEL PIPERIDINE DERIVATIVES ADORA1, ADRA1D, ADORA2B PRSS1 2802/4885PRSS2 3701/4885PRSS3 3988/4885
US-20170266175-A1 NOVEL PIPERIDINE DERIVATIVES ADORA1, ADRA1D, ADORA2B PRSS1 2802/4885PRSS2 3701/4885PRSS3 3988/4885
US-10172843-B2 Piperidine derivatives ADRA1D, ADORA1, ADRA1A PRSS1 2862/4885PRSS2 3467/4885PRSS3 3563/4885

“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.