SCHEMBL4989863

SCHEMBL4989863

[NH]CC1c2ccccc2-c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.58
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
GPR3 P46089 2/20 0.41
TDO2 P48775 1/20 0.38
ACHE P22303 2/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
SLC22A2 O15244 1/20 0.36
SLC22A3 O75751 1/20 0.36

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
SCHEMBL22664654 0.84 HTR2A (0.58) HTR2ACA1CA2GPR3TDO2
SCHEMBL7576966 0.78 HTR2A (0.64) HTR2ACA1CA2GPR3TDO2
SCHEMBL5353138 0.78 HTR2A (0.64) HTR2ACA1CA2GPR3TDO2
SCHEMBL7574105 0.76 HTR2A (0.61) HTR2ACA1CA2GPR3TDO2
SCHEMBL17022715 0.76 HTR2A (0.61) HTR2ACA1CA2GPR3TDO2
SCHEMBL633764 0.74 HTR2A (0.58) HTR2ACA1CA2GPR3TDO2
SCHEMBL261028 0.74 HTR2A (0.58) HTR2ACA1CA2GPR3TDO2
SCHEMBL2286468 0.74 HTR2A (0.58) HTR2ACA1CA2GPR3TDO2
SCHEMBL13715483 0.74 HTR2A (0.58) HTR2ACA1CA2GPR3TDO2
SCHEMBL499897 0.74 HTR2A (0.58) HTR2ACA1CA2GPR3TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108697714-B Fused pyrimidine compound or salt thereof 大鹏药品工业株式会社 2022-04-26 CN disclosed
US-11046696-B2 Fused pyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-06-29 US disclosed
US-11008324-B2 2021-05-18 US disclosed
US-10807986-B2 Fused pyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-10-20 US disclosed
US-20200270253-A1 NOVEL FUSED PYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-08-27 US disclosed
US-20190330214-A1 NOVEL FUSED PYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2019-10-31 US disclosed
US-10155768-B2 Fused pyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-12-18 US disclosed
EP-3269370-A1 NOVEL CONDENSED PYRIMIDINE COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2018-01-17 EP disclosed
US-20180009818-A1 NOVEL FUSED PYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-01-11 US disclosed
US-20080214754-A1 DIENE POLYMER AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-04 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-20190330214-A1 NOVEL FUSED PYRIMIDINE COMPOUND OR SALT THEREOF RET, ZFX, PDCD11 HTR2A 4510/4885CA1 2776/4885CA2 1856/4885
US-20180009818-A1 NOVEL FUSED PYRIMIDINE COMPOUND OR SALT THEREOF RET, ZFX, PDCD11 HTR2A 4510/4885CA1 2776/4885CA2 1856/4885
US-11046696-B2 Fused pyrimidine compound or salt thereof RET, ZFX, MECP2 HTR2A 4273/4885CA1 2802/4885CA2 1887/4885
US-11008324-B2 RET, GFRA1, GFRA2 HTR2A 4175/4885CA1 1154/4885CA2 545/4885
US-10155768-B2 Fused pyrimidine compound or salt thereof RET, ZFX, MECP2 HTR2A 4273/4885CA1 2802/4885CA2 1887/4885
US-10807986-B2 Fused pyrimidine compound or salt thereof RET, ZFX, MECP2 HTR2A 4273/4885CA1 2802/4885CA2 1887/4885
US-20200270253-A1 NOVEL FUSED PYRIMIDINE COMPOUND OR SALT THEREOF RET, ZFX, PDCD11 HTR2A 4510/4885CA1 2776/4885CA2 1856/4885

“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.