SCHEMBL23294841

SCHEMBL23294841

CN1CCN(c2cccc(I)c2N)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 3/20 0.58
DRD2 P14416 3/20 0.50
DRD3 P35462 3/20 0.50
MAPT P10636 4/20 0.47
KDM4E B2RXH2 3/20 0.47
RAD52 P43351 1/20 0.47
HTR1A P08908 1/20 0.45
DRD4 P21917 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
MAPK1 P28482 2/20 0.45
GAA P10253 2/20 0.45
PTK2B Q14289 2/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL31172405 0.81 ADRA2C (0.72) ADRA2CDRD2DRD3MAPTKDM4E
SCHEMBL1509507 0.81 ADRA2C (0.72) ADRA2CDRD2DRD3MAPTKDM4E
SCHEMBL29426367 0.81 ADRA2C (0.60) ADRA2CDRD2DRD3MAPTKDM4E
SCHEMBL1810237 0.81 ADRA2C (0.60) ADRA2CDRD2DRD3MAPTKDM4E
SCHEMBL3555024 0.80 ADRA2C (0.59) ADRA2CDRD2DRD3MAPTKDM4E
SCHEMBL29586471 0.79 DRD3 (0.50) ADRA2CDRD2DRD3MAPTKDM4E
SCHEMBL23294808 0.79 DRD3 (0.50) ADRA2CDRD2DRD3MAPTKDM4E
SCHEMBL23124021 0.76 ADRA2C (0.64) ADRA2CDRD2DRD3MAPTKDM4E
SCHEMBL8266808 0.75 ADRA2C (0.57) ADRA2CDRD2DRD3MAPTHTR1A
SCHEMBL3434271 0.73 KDM4E (0.52) ADRA2CDRD2DRD3MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11547703-B2 Substituted fused heteroaromatic tricyclic compounds as kinase inhibitors and the use thereof Impact Therapeutics (Shanghai), Inc (CN) 2023-01-10 US disclosed
CN-110312717-B Substituted fused heteroaromatic tricyclic compounds as kinase inhibitors and uses thereof 上海瑛派药业有限公司 2022-04-12 CN disclosed
US-20210128535-A1 Substituted Fused Heteroaromatic Tricyclic Compounds as Kinase Inhibitors and The Use Thereof IMPACT THERAPEUTICS, INC. (CN) 2021-05-06 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 (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-20210128535-A1 Substituted Fused Heteroaromatic Tricyclic Compounds as Kinase Inhibitors and The Use Thereof CHEK2, CHEK1, ATM ADRA2C 2956/4885DRD2 2350/4885DRD3 2385/4885
US-11547703-B2 Substituted fused heteroaromatic tricyclic compounds as kinase inhibitors and the use thereof CHEK2, CHEK1, ATM ADRA2C 2956/4885DRD2 2350/4885DRD3 2385/4885

“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.