SCHEMBL20080909

SCHEMBL20080909

N#Cc1ccc(N2CCNCC2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
AR P10275 1/20 0.42
KDR P35968 2/20 0.40
PARP1 P09874 2/20 0.39
TNK1 Q13470 2/20 0.39
ADRB1 P08588 3/20 0.37
HTR3E A5X5Y0 2/20 0.37
HTR3B O95264 2/20 0.37
HTR3A P46098 2/20 0.37
HTR3D Q70Z44 2/20 0.37
HTR3C Q8WXA8 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
AOC3 Q16853 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
CDC42BPB Q9Y5S2 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35

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
Hydrochloric Acid SCHEMBL28913555 0.98 DRD2 (0.42) DRD2DRD3ARKDRPARP1
SCHEMBL28329104 0.79 FLT3 (0.43) DRD2DRD3ARKDRPARP1
SCHEMBL6909902 0.72 ADRB1 (0.47) DRD2DRD3ADRB1HTR3EHTR3B
SCHEMBL81908 0.72 ADRB1 (0.47) DRD2DRD3ADRB1HTR3EHTR3B
Hydrochloric Acid SCHEMBL27237952 0.70 ADRB1 (0.46) DRD2DRD3ADRB1HTR3EHTR3B
SCHEMBL17014878 0.70 AR (0.67) ARALDH1A1KMT2A
SCHEMBL1432603 0.69 AOC3 (0.40) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL4590342 0.69 KDR (0.53) DRD2DRD3KDRPARP1TNK1
SCHEMBL2828462 0.69 KDR (0.53) DRD2DRD3KDRPARP1TNK1
SCHEMBL22769076 0.68 ADRB1 (0.43) ADRB1HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023001247-A1 PYRIDAZINONE COMPOUND 南京明德新药研发有限公司 2023-01-26 WO disclosed
EP-3312177-B1 TRICYCLIC DERIVATIVE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME ONCONIC THERAPEUTICS INC (KR) 2021-04-14 EP disclosed
US-10464919-B2 Tricyclic derivative compound, method for preparing same, and pharmaceutical composition comprising same JE IL PHARMACEUTICAL CO., LTD. (KR) 2019-11-05 US disclosed
US-20180162834-A1 Tricyclic Derivative Compound, Method for Preparing Same, and Pharmaceutical Composition Comprising Same ONCONIC THERAPEUTICS INC. (KR) 2018-06-14 US disclosed
US-20180162834-A1 Tricyclic Derivative Compound, Method for Preparing Same, and Pharmaceutical Composition Comprising Same ONCONIC THERAPEUTICS INC. (KR) 2018-06-14 US disclosed
EP-3312177-A2 TRICYCLIC DERIVATIVE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Jeil Pharmaceutical Co., Ltd. (KR) 2018-04-25 EP 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-20180162834-A1 Tricyclic Derivative Compound, Method for Preparing Same, and Pharmaceutical Composition Comprising Same TNKS, TNKS2, PARP1 DRD2 3253/4885DRD3 3047/4885AR 1096/4885
US-10464919-B2 Tricyclic derivative compound, method for preparing same, and pharmaceutical composition comprising same TNKS, TNKS2, PARP1 DRD2 3253/4885DRD3 3047/4885AR 1096/4885

“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.