SCHEMBL4057745

SCHEMBL4057745

CCCCc1cc(N)[nH]n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
HCAR3 P49019 3/20 0.39
HCAR2 Q8TDS4 3/20 0.39
HRH2 P25021 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
SKP2 Q13309 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
IDO1 P14902 1/20 0.35
GABRB1 P18505 1/20 0.35

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
SCHEMBL2810659 0.94 KCNH2 (0.41) NOS2SMN1; SMN2NPC1RAB9ATP53
SCHEMBL19973201 0.92 KCNH2 (0.44) NOS2SMN1; SMN2HCAR3HCAR2MAPT
SCHEMBL6293331 0.88
SCHEMBL4521656 0.79 DAO (0.37) SMN1; SMN2HCAR2LMNATLR7KCNH2
SCHEMBL1072255 0.79
SCHEMBL2631524 0.78 CYP1A2 (0.44) NOS2NPC1RAB9AHCAR3HCAR2
SCHEMBL27886426 0.78 HCAR2 (0.40) NOS2SMN1; SMN2NPC1RAB9ATP53
SCHEMBL2765959 0.78 HCAR2 (0.56) NOS2HCAR3HCAR2HRH3GABRP
SCHEMBL17950341 0.77
SCHEMBL5689957 0.76 HCAR2 (0.50) NOS2HCAR3HCAR2HRH3GABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070270474-A1 drugs have beta-amyloid peptide production inhibitory activity, such as 2-(2-benzo[b]thiophen-4-yl-acetylamino)-N-(5-phenyl-2H-pyrazol-3-yl)-propionamide, useful for treatment of Alzheimer's disease and Down's Syndrome PFIZER INC. 2007-11-22 US claimed
EP-1551809-A1 PYRAZOLE COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP claimed
US-20040142997-A1 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC. 2004-07-22 US claimed
WO-2004033434-A1 PYRAZOLE COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-04-22 WO claimed
US-10358445-B2 Respiratory formulations and compounds for use therein Respivert, Ltd. (GB) 2019-07-23 US disclosed
EP-2556068-B1 P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2019-01-23 EP disclosed
US-20180201611-A1 Respiratory formulations and compounds for use therein RESPIVERT LTD. (GB) 2018-07-19 US disclosed
US-9701670-B2 Pyrazolyl-ureas as kinase inhibitors RESPIVERT LIMITED (GB) 2017-07-11 US disclosed
WO-2017069270-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND 大正製薬株式会社 2017-04-27 WO disclosed
CN-105377847-A Kinase inhibitors CHIESI FARM SPA 2016-03-02 CN disclosed
CN-105308046-A Kinase inhibitors CHIESI FARMA SPA 2016-02-03 CN disclosed
CN-105308044-A Derivatives of [1, 2, 4]-triazolo-[4, 3-A]-pyridine as p38 MAP kinase inhibitors CHIESI FARMA SPA 2016-02-03 CN disclosed
CN-101084217-A Imidazo[4,5-b]pyridin-2-one and oxazolo[4,5-b]pyridin-2-one compounds and analogs thereof as therapeutic compounds CANCER REC TECH LTD (GB) 2007-12-05 CN disclosed
US-20070270474-A1 drugs have beta-amyloid peptide production inhibitory activity, such as 2-(2-benzo[b]thiophen-4-yl-acetylamino)-N-(5-phenyl-2H-pyrazol-3-yl)-propionamide, useful for treatment of Alzheimer's disease and Down's Syndrome PFIZER INC. 2007-11-22 US disclosed
CN-101006087-A Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors PFIZER (US) 2007-07-25 CN disclosed
US-7238721-B2 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC (US) 2007-07-03 US disclosed
EP-1551809-A1 PYRAZOLE COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP disclosed
US-20040142997-A1 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC. 2004-07-22 US disclosed
CN-1495173-A Alpha-amino-N-allylamidinonitrobenzene compound and its synthesis 伊斯曼柯达公司 2004-05-12 CN disclosed
WO-2004033434-A1 PYRAZOLE COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-04-22 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-10358445-B2 Respiratory formulations and compounds for use therein TSLP, CCL11, RORB NOS2 594/4885SMN1; SMN2 1893/4885NPC1 547/4885
US-20040142997-A1 Pyrazole compounds for treatment of neurodegenerative disorders APP, PARK7, BACE1 NOS2 1255/4885SMN1; SMN2 520/4885NPC1 304/4885
US-20180201611-A1 Respiratory formulations and compounds for use therein TSLP, CCL11, RORB NOS2 594/4885SMN1; SMN2 1893/4885NPC1 547/4885
US-20070270474-A1 drugs have beta-amyloid peptide production inhibitory activity, such as 2-(2-benzo[b]thiophen-4-yl-acetylamino)-N-(5-phenyl-2H-pyrazol-3-yl)-propionamide, useful for treatment of Alzheimer's disease and Down's Syndrome APP, BACE1, PSEN1 NOS2 504/4885SMN1; SMN2 1395/4885NPC1 1077/4885

“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.