SCHEMBL22003706

SCHEMBL22003706

O=C(c1ccc(Br)nc1)C1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
CYP2D6 P10635 1/20 0.54
KMT2A Q03164 1/20 0.54
HRH3 Q9Y5N1 1/20 0.45
CHRNB2 P17787 3/20 0.41
CHRNA4 P43681 3/20 0.41
FPR2 P25090 1/20 0.40
KHK P50053 1/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
SMYD3 Q9H7B4 1/20 0.37
SLC18A3 Q16572 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
TSHR P16473 1/20 0.36
GABRB1 P18505 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
SCHEMBL29480726 1.00 MEN1 (0.54) MEN1CYP2D6KMT2AHRH3CHRNB2
SCHEMBL22736231 0.89 NPC1 (0.41) MEN1CYP2D6KMT2AHRH3SLC18A3
Tert-Butyl Formate SCHEMBL28566265 0.86 MEN1 (0.45) MEN1CYP2D6KMT2AHRH3CHRNB2
SCHEMBL9980653 0.81 KMT2A (0.62) MEN1CYP2D6KMT2AHRH3KHK
SCHEMBL21795765 0.81 HRH3 (0.45) MEN1CYP2D6KMT2AHRH3CHRNB2
SCHEMBL9980865 0.81 SLC18A3 (0.55) MEN1CYP2D6KMT2AHRH3SLC18A3
Hydrochloric Acid SCHEMBL9222025 0.80 MEN1 (0.56) MEN1CYP2D6KMT2AHRH3
Hydrochloric Acid SCHEMBL16432204 0.80 MEN1 (0.56) MEN1CYP2D6KMT2AHRH3SLC18A3
SCHEMBL1135130 0.78 MEN1 (0.67) MEN1CYP2D6KMT2AHRH3HTR3E
SCHEMBL13391178 0.78 MEN1 (0.50) MEN1CYP2D6KMT2AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11179391-B2 Compound with kinase inhibitory activity and preparation method and use thereof Zhang, Fuyao (CN) 2021-11-23 US disclosed
EP-3620456-B1 COMPOUND WITH KINASE INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREOF ZHANG FUYAO (CN) 2021-11-17 EP disclosed
WO-2020240586-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD. (IN) 2020-12-03 WO disclosed
US-20200155550-A1 COMPOUND WITH KINASE INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREOF SHANGHAI BEST-LINK BIOSCIENCE, LLC (CN) 2020-05-21 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-20200155550-A1 COMPOUND WITH KINASE INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREOF CDK9, CDK7, CDK6 MEN1 1062/4885CYP2D6 550/4885KMT2A 920/4885
US-11179391-B2 Compound with kinase inhibitory activity and preparation method and use thereof CDK9, CDK7, CDK6 MEN1 1062/4885CYP2D6 550/4885KMT2A 920/4885

“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.