SCHEMBL2301952

SCHEMBL2301952

CN1[C]Sc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
NOX1 Q9Y5S8 2/20 0.39
KDM1A O60341 4/20 0.38
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
CHRM3 P20309 2/20 0.38
SLC6A2 P23975 2/20 0.38
HTR2C P28335 2/20 0.38
SLC6A4 P31645 2/20 0.38
DRD3 P35462 2/20 0.38
HTR2B P41595 2/20 0.38
SLC22A1 O15245 1/20 0.38
PRNP P04156 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
ADRB2 P07550 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
HTR1A P08908 1/20 0.38

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
SCHEMBL4453952 1.00 MAOA (0.46) MAOANOX1KDM1AADRA2AADRA2B
SCHEMBL9457298 0.72 KDM1A (0.38) MAOAKDM1AADRA2AADRA2BADRA2C
SCHEMBL10903996 0.72 KDM1A (0.38) MAOAKDM1AADRA2AADRA2BADRA2C
SCHEMBL1451143 0.67 MAOA (0.50) MAOANOX1ADRA2AADRA2BADRA2C
SCHEMBL851761 0.64 MAOA (0.40) MAOAADRA2CDRD3TP53DRD2
SCHEMBL851762 0.64 MAOA (0.40) MAOAADRA2CDRD3TP53DRD2
SCHEMBL231247 0.64 MAOA (1.00) MAOANOX1KDM1AADRA2AADRA2B
SCHEMBL29377505 0.64 MAOA (1.00) MAOANOX1KDM1AADRA2AADRA2B
SCHEMBL28983302 0.62 MAOA (0.45) MAOANOX1KDM1AADRA2AADRA2B
SCHEMBL14865924 0.60 MAOA (0.74) MAOANOX1KDM1AADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5081282-A Bicyclo compounds, inhibitors of thromboxane activity NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1992-01-14 US claimed
US-5077309-A Thromboxane a2 antagonist NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-12-31 US claimed
US-5055582-A Process for preparing thromboxane A2 antagonists NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-10-08 US claimed
US-5028733-A Prostaglandins NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-07-02 US claimed
US-5025034-A Thromboxane inhibitors NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-06-18 US claimed
US-5006539-A Thromborane inhibitor NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-04-09 US claimed
US-4992563-A Benzopyran intermediates for use in manufacturing thromboxane A2 antagonists NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-02-12 US claimed
US-4945106-A Prostaglandins NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-07-31 US claimed
EP-0231078-B1 PROSTAGLANDINS NAT RES DEV (GB) 1990-04-25 EP claimed
EP-0082646-B1 PROSTAGLANDINS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1989-11-15 EP claimed
US-4837234-A Prostaglandins NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1989-06-06 US claimed
US-4628061-A Prostaglandins NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1986-12-09 US claimed
US-4596823-A Prostaglandins NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1986-06-24 US claimed
EP-0043292-B1 PROSTAGLANDINS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1986-01-15 EP claimed
US-8877757-B2 Pyrazine derivatives and use as PI3K inhibitors MERCK SERONO SA (CH) 2014-11-04 US disclosed
US-20110319410-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS MERCK SERONO SA (CH) 2011-12-29 US disclosed
US-20110312960-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS MERCK SERONO SA (CH) 2011-12-22 US disclosed
EP-0231078-B1 PROSTAGLANDINS NAT RES DEV (GB) 1990-04-25 EP disclosed
EP-0082646-B1 PROSTAGLANDINS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1989-11-15 EP disclosed
US-4594303-A Containing charge generating and charge transfer material FUJI PHOTO FILM CO., LTD. (JP) 1986-06-10 US 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 (2 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-20110312960-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS PIK3R5, PIK3CD, PIK3CA MAOA 3651/4885NOX1 516/4885KDM1A 4376/4885
US-20110319410-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS PIK3R5, PIK3CD, PIK3CA MAOA 3651/4885NOX1 516/4885KDM1A 4376/4885

“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.