SCHEMBL17545822

SCHEMBL17545822

Cc1c(C(C)C)ccnc1N

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 8/20 0.56
NOS3 P29474 7/20 0.56
NOS1 P29475 4/20 0.40
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
P2RX3 P56373 2/20 0.33
P2RX2 Q9UBL9 2/20 0.33
F12 P00748 1/20 0.33
PLAU P00749 1/20 0.33
NCF1 P14598 1/20 0.33
BACE1 P56817 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
DHFR P00374 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31

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
SCHEMBL22791916 0.85 NOS2 (0.54) NOS2NOS3NOS1KDM4EMEN1
SCHEMBL30039026 0.80 NOS2 (0.52) NOS2NOS3NOS1KDM4EMEN1
SCHEMBL790700 0.80 NOS2 (0.52) NOS2NOS3NOS1KDM4EMEN1
SCHEMBL23030535 0.79 NOS2 (0.42) NOS2NOS3NOS1KDM4EMEN1
SCHEMBL6947890 0.79 NOS3 (0.47) NOS2NOS3NOS1
SCHEMBL10222482 0.77 CYP2A6 (0.35) NOS2NOS3
SCHEMBL20010424 0.77 NOS2 (0.39) NOS2NOS3NOS1P2RX3P2RX2
SCHEMBL18609308 0.77 NOS2 (0.39) NOS2NOS3NOS1P2RX3P2RX2
SCHEMBL10105612 0.76 NOS3 (0.32) NOS2NOS3
SCHEMBL24287969 0.76 TAAR1 (0.37) NOS2NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242551-A1 ISOTOPE-SUBSTITUTED SPIRO AROMATIC RING COMPOUND AND APPLICATION THEREOF ETERN BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2023-08-03 US disclosed
US-11701354-B2 Pyrazolo[3,4-b]pyrazine derivatives as SHP2 phosphatase inhibitors D. E. SHAW RESEARCH, LLC (US) 2023-07-18 US disclosed
US-11701354-B2 Pyrazolo[3,4-b]pyrazine derivatives as SHP2 phosphatase inhibitors D. E. SHAW RESEARCH, LLC (US) 2023-07-18 US disclosed
US-11529348-B2 2022-12-20 US disclosed
US-20200253969-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS SCHRODINGER, LLC 2020-08-13 US disclosed
US-10227350-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2019-03-12 US disclosed
WO-2018057810-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2018-03-29 WO disclosed
US-20180086768-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-03-29 US disclosed
US-20180086768-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-03-29 US disclosed
US-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. 2017-02-02 US disclosed
US-9273028-B2 Heterocyclic tyrosine kinase inhibitors BIOGEN MA INC. (US) 2016-03-01 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 (7 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-11529348-B2 PTPRCAP, PTPN2, PTPN6 NOS2 2466/4885NOS3 2972/4885NOS1 3064/4885
US-20230242551-A1 ISOTOPE-SUBSTITUTED SPIRO AROMATIC RING COMPOUND AND APPLICATION THEREOF SLCO1B1, SLCO1B3, SLCO2B1 NOS2 4086/4885NOS3 3832/4885NOS1 3869/4885
US-10227350-B2 Phosphatidylinositol 3-kinase inhibitors PIK3CA, AKT3, AKT1 NOS2 3309/4885NOS3 1735/4885NOS1 2453/4885
US-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS TEC, ABL1, LCK NOS2 3507/4885NOS3 3275/4885NOS1 3420/4885
US-20180086768-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, AKT1 NOS2 3309/4885NOS3 1735/4885NOS1 2453/4885
US-11701354-B2 Pyrazolo[3,4-b]pyrazine derivatives as SHP2 phosphatase inhibitors PTPN5, PTPN2, PTPN7 NOS2 2730/4885NOS3 2399/4885NOS1 3094/4885
US-20200253969-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS PTPN5, PTPN2, PPM1A NOS2 2201/4885NOS3 1811/4885NOS1 2276/4885

“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.