Sugi Predict

Sugi Predict / Compounds / SCHEMBL970997

SCHEMBL970997

SCHEMBL970997

[NH]C(=O)c1nccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.53
▸ RAB9A P51151 2/20 0.51
▸ PLAU P00749 2/20 0.47
▸ CYP2A6 P11509 1/20 0.47
▸ F12 P00748 1/20 0.47
▸ NCF1 P14598 1/20 0.47
▸ NOS3 P29474 1/20 0.47
▸ NOS1 P29475 1/20 0.47
▸ NOS2 P35228 1/20 0.47
▸ BACE1 P56817 1/20 0.47
▸ MAPT P10636 3/20 0.45
▸ TSHR P16473 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PLG P00747 1/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43

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
SCHEMBL4404077 0.84 CNR2 (0.64) CNR2RAB9APLAUCYP2A6F12
SCHEMBL287165 0.82 RAB9A (0.56) CNR2RAB9APLAUCYP2A6F12
SCHEMBL5357601 0.82 CNR2 (0.54) CNR2RAB9APLAUCYP2A6F12
Hydrochloric Acid SCHEMBL3294760 0.81 RAB9A (0.55) CNR2RAB9APLAUCYP2A6F12
SCHEMBL29358323 0.81 CNR2 (0.53) CNR2RAB9APLAUCYP2A6F12
SCHEMBL111310 0.81 CNR2 (0.53) CNR2RAB9APLAUCYP2A6F12
SCHEMBL349832 0.81 CNR2 (0.56) CNR2RAB9APLAUCYP2A6F12
SCHEMBL28492272 0.81 CNR2 (0.53) CNR2RAB9APLAUCYP2A6F12
SCHEMBL22664584 0.81 RAB9A (0.55) CNR2RAB9APLAUCYP2A6F12
SCHEMBL28134671 0.81 RAB9A (0.55) CNR2RAB9APLAUCYP2A6F12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4371979-A1 FORMAMIDE DERIVATIVE AND AGRICULTURAL OR HORTICULTURAL PLANT DISEASE CONTROL AGENT Kumiai Chemical Industry Co., Ltd. (JP) 2024-05-22 — — EP disclosed
CN-117693500-A Carboxamide derivative and agricultural/horticultural plant disease control agent 组合化学工业株式会社 2024-03-12 — — CN disclosed
WO-2023286855-A1 FORMAMIDE DERIVATIVE AND AGRICULTURAL OR HORTICULTURAL PLANT DISEASE CONTROL AGENT クミアイ化学工業株式会社 2023-01-19 — — WO disclosed
EP-2217602-B1 1,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INT (DE) 2018-08-29 — — EP disclosed
US-20160122337-A1 2-HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2016-05-05 — — US disclosed
US-9067931-B2 2-heteroaryl carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-30 — — US disclosed
US-20140350008-A1 2-HETEROARYL CARBOXAMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-27 — — US disclosed
US-8822479-B2 6-cyclylmethyl-and 6-alkylmethyl-substituted pyrazolepyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 — — US disclosed
US-8809348-B2 6-arylmethyl substituted pyrazolo[3,4-d]pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-19 — — US disclosed
US-8648085-B2 1, 5-dihydro-pyrazolo (3, 4-D) pyrimidin-4-one derivatives and their use as PDE9A mudulators for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 — — US disclosed
EP-1757594-A1 QUINAZOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 — — EP disclosed
WO-2006125548-A1 USE OF PYRAZOLOPYRIMIDINE AGAINST CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2006-11-30 — — WO disclosed
EP-1515967-B1 2-HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2006-11-02 — — EP disclosed
US-20060160877-A1 2-Heteroaryl carboxamides BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-20 — — US disclosed
EP-1628980-A1 6-ARYLMETHYL-SUBSTITUTED PYRAZOLOPYRIMIDINES Bayer HealthCare AG (DE) 2006-03-01 — — EP disclosed
EP-1626971-A1 6-CYCLYLMETHYL- AND 6-ALKYLMETHYL-SUBSTITUTED PYRAZOLOPYRIMIDINES Bayer HealthCare AG (DE) 2006-02-22 — — EP disclosed
EP-1515967-A1 2-HETEROARYL CARBOXAMIDES Bayer HealthCare AG (DE) 2005-03-23 — — EP disclosed
WO-2004099210-A1 6-ARYLMETHYL-SUBSTITUTED PYRAZOLOPYRIMIDINES BAYER HEALTHCARE AG (DE) 2004-11-18 — — WO disclosed
WO-2004099211-A1 6-CYCLYLMETHYL- AND 6-ALKYLMETHYL-SUBSTITUTED PYRAZOLOPYRIMIDINES BAYER HEALTHCARE AG (DE) 2004-11-18 — — WO disclosed
WO-2003104227-A1 2-HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2003-12-18 — — 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-20140350008-A1 2-HETEROARYL CARBOXAMIDES GRIN2A, CNR2, GRIN2C CNR2 2/4885RAB9A 3256/4885PLAU 4647/4885
US-20160122337-A1 2-HETEROARYL CARBOXAMIDES GRIN2A, CNR2, GRIN2C CNR2 2/4885RAB9A 3256/4885PLAU 4647/4885
US-20060160877-A1 2-Heteroaryl carboxamides GRIN2A, CNR2, GRIN2C CNR2 2/4885RAB9A 3256/4885PLAU 4647/4885

“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.