SCHEMBL217944

SCHEMBL217944

CCn1ncc2ccc(N)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.45
HTR2C P28335 6/20 0.45
HTR2B P41595 4/20 0.45
HTR1A P08908 2/20 0.45
ADRA2A P08913 2/20 0.45
ADRA2B P18089 2/20 0.45
ADRA2C P18825 2/20 0.45
HTR1D P28221 1/20 0.45
HTR7 P34969 1/20 0.45
HTR4 Q13639 1/20 0.45
HASPIN Q8TF76 1/20 0.43
KDM4E B2RXH2 2/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
CSNK1A1 P48729 1/20 0.41
GSK3A P49840 1/20 0.41
LIMK1 P53667 1/20 0.41
IKBKE Q14164 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL31039602 1.00 HTR2A (0.45) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL20769975 0.86 HTR2A (0.50) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL213305 0.86 CHEK1 (0.53) HTR2AHTR2CHASPINKDM4ECHEK1
SCHEMBL22502397 0.83 HTR2A (0.48) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL3980684 0.81 HTR2A (0.47) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL28140026 0.81 KMO (0.47) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL27605136 0.80 HTR2A (0.41) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL13607530 0.80 KMO (0.60) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL7572923 0.80 HTR2A (0.44) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL18031893 0.80 HTR2A (0.40) HTR2AHTR2CHTR2BHTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1066182-A None JP disclosed
EP-3676255-B1 THERAPEUTIC INDAZOLES RUTGERS THE STATE UNIV UNIV OF NEW JERSEY (US) 2025-04-16 EP disclosed
US-12060330-B2 Therapeutic indazoles RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-08-13 US disclosed
US-11795192-B2 Antimicrobial compounds, compositions, and uses thereof Lakewood Amedex, Inc. (US) 2023-10-24 US disclosed
EP-3328843-B1 1,3,4-OXADIAZOLE SULFONAMIDE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2022-10-26 EP disclosed
US-20220144781-A1 THERAPEUTIC INDAZOLES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2022-05-12 US disclosed
US-11186549-B2 Therapeutic indazoles RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2021-11-30 US disclosed
EP-3331864-B1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2021-11-03 EP disclosed
CN-108137518-B 1,3, 4-oxadiazole derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same 株式会社钟根堂 2021-08-31 CN disclosed
CN-107922362-B 1,3, 4-oxadiazole sulfonamide derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions containing the same 株式会社钟根堂 2021-06-15 CN disclosed
US-9145414-B2 1,2,4-triazine-6-carboxamide derivative TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-09-29 US disclosed
US-20140343038-A1 1,2,4-TRIAZINE-6-CARBOXAMIDE DERIVATIVE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-11-20 US disclosed
WO-2014151106-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-09-25 WO disclosed
EP-2762476-A1 1,2,4-TRIAZINE-6-CARBOXAMIDE DERIVATIVE Taiho Pharmaceutical Co., Ltd. (JP) 2014-08-06 EP disclosed
US-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 US disclosed
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 US disclosed
EP-2401281-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-01-04 EP disclosed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 WO disclosed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 WO disclosed
JP-S6466182-A INDAZOLE DERIVATIVE, ITS PRODUCTION AND HERBICIDE CONTAINING SAID DERIVATIVE AS ACTIVE COMPONENT SUMITOMO CHEMICAL CO 1989-03-13 JP 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 (6 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-20140343038-A1 1,2,4-TRIAZINE-6-CARBOXAMIDE DERIVATIVE SYK, BTK, JAK2 HTR2A 235/4885HTR2C 137/4885HTR2B 437/4885
US-12060330-B2 Therapeutic indazoles RIF1, QTRT1, NQO2 HTR2A 3335/4885HTR2C 2499/4885HTR2B 3032/4885
US-20220144781-A1 THERAPEUTIC INDAZOLES RIF1, QTRT1, NQO2 HTR2A 3335/4885HTR2C 2499/4885HTR2B 3032/4885
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE WEE1, WEE2, DCK HTR2A 4687/4885HTR2C 3786/4885HTR2B 3343/4885
US-11186549-B2 Therapeutic indazoles RIF1, NQO2, QTRT1 HTR2A 3315/4885HTR2C 2524/4885HTR2B 2847/4885
US-11795192-B2 Antimicrobial compounds, compositions, and uses thereof CAT, MPO, NISCH HTR2A 4785/4885HTR2C 4820/4885HTR2B 4681/4885

“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.