SCHEMBL2776285

SCHEMBL2776285

COc1cc2c(cc1C)CCCC2C1=NCCN1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 5/20 0.54
ADRA2A P08913 4/20 0.54
CYP2D6 P10635 2/20 0.54
HTR1A P08908 1/20 0.54
OPRM1 P35372 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 1/20 0.53
BLM P54132 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
ALOX15 P16050 1/20 0.42
HTR2A P28223 1/20 0.40
ADRA1D P25100 1/20 0.39
ADRA1B P35368 1/20 0.39

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
SCHEMBL2790488 0.93 CYP2D6 (0.44) ADRA1AADRA2ACYP2D6HTR1AOPRM1
Hydrochloric Acid SCHEMBL10749865 0.90 CYP2D6 (0.59) ADRA1AADRA2ACYP2D6HTR1AOPRM1
SCHEMBL9814120 0.87 ADRA1A (0.53) ADRA1AADRA2ACYP2D6HTR1AOPRM1
Hydrochloric Acid SCHEMBL10749333 0.86 CYP2D6 (0.54) ADRA1AADRA2ACYP2D6HTR1AOPRM1
SCHEMBL9814124 0.84 ADRA1A (0.53) ADRA1AADRA2ACYP2D6HTR1AOPRM1
Hydrochloric Acid SCHEMBL10749519 0.83 CYP2D6 (0.54) ADRA1AADRA2ACYP2D6HTR1AOPRM1
SCHEMBL9814102 0.81 ADRA1A (0.48) ADRA1AADRA2ACYP2D6HTR1AOPRM1
Hydrochloric Acid SCHEMBL10747744 0.80 CYP2D6 (0.49) ADRA1AADRA2ACYP2D6HTR1AOPRM1
SCHEMBL769130 0.79 ADRA1A (0.62) ADRA1AADRA2ACYP2D6HTR1AOPRM1
Hydrochloric Acid SCHEMBL10749973 0.79 CYP2D6 (0.57) ADRA1AADRA2ACYP2D6HTR1AOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240009190-A1 COMBINATION CANCER THERAPY USING CHK INHIBITOR Shanghai Huayu Biotechnology Co., Ltd. (CN) 2024-01-11 US claimed
US-20230049029-A1 COMBINATION CANCER THERAPY USING CHK INHIBITOR Shanghai Huayu Biotechnology Co., Ltd. (CN) 2023-02-16 US claimed
US-8962626-B2 Thienopyridazine compounds, their preparations, pharmaceutical compositions and uses ZHEJIANG MEDICINE CO., LTD. XINCHANG PHARMACEUTICAL FACTORY (CN) 2015-02-24 US claimed
EP-2241569-A1 THIENOPYRIDAZINE COMPOUNDS, THEIR PREPARATIONS, PHARMACEUTICAL COMPOSITIONS AND USES Zhejiang Medicine Co., Ltd. Xinchang Pharmaceutical Factory (CN) 2010-10-20 EP claimed
US-20240009190-A1 COMBINATION CANCER THERAPY USING CHK INHIBITOR Shanghai Huayu Biotechnology Co., Ltd. (CN) 2024-01-11 US disclosed
US-20230049029-A1 COMBINATION CANCER THERAPY USING CHK INHIBITOR Shanghai Huayu Biotechnology Co., Ltd. (CN) 2023-02-16 US disclosed
US-7767667-B2 Pesticidal heterocycles FMC CORPORATION (US) 2010-08-03 US disclosed
US-20090012070-A1 PESTICIDAL HETEROCYCLES BAYER CROPSCIENCE AG (DE) 2009-01-08 US disclosed
US-7417057-B2 Pesticidal heterocycles BAYER CROPSCIENCE AG (DE) 2008-08-26 US disclosed
EP-1499609-A4 PESTICIDAL HETEROCYCLES FMC CORP (US) 2005-09-14 EP disclosed
US-20050143418-A1 Pesticidal heterocycles FMC CORPORATION 2005-06-30 US disclosed
EP-1499609-A2 PESTICIDAL HETEROCYCLES FMC CORPORATION (US) 2005-01-26 EP disclosed
WO-2003092374-A2 PESTICIDAL HETEROCYCLES FMC CORPORATION (US) 2003-11-13 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-20230049029-A1 COMBINATION CANCER THERAPY USING CHK INHIBITOR CHEK1, DCK, CHEK2 ADRA1A 4261/4885ADRA2A 3804/4885CYP2D6 4634/4885
US-20240009190-A1 COMBINATION CANCER THERAPY USING CHK INHIBITOR CHEK1, CHEK2, DCK ADRA1A 4320/4885ADRA2A 3950/4885CYP2D6 4762/4885
US-20090012070-A1 PESTICIDAL HETEROCYCLES DDT, CBR3, ACHE ADRA1A 1130/4885ADRA2A 1935/4885CYP2D6 1682/4885
US-20050143418-A1 Pesticidal heterocycles DDT, TRHR, ACHE ADRA1A 974/4885ADRA2A 1884/4885CYP2D6 1201/4885

“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.