SCHEMBL18183986

SCHEMBL18183986

Cc1cc2n(c1)CCCNC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 4/20 0.36
▸ HTR2A P28223 3/20 0.36
▸ DRD3 P35462 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ AGER Q15109 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CXCR4 P61073 1/20 0.32
▸ SOD3 P08294 1/20 0.32
▸ HTR1A P08908 1/20 0.31
▸ HTR3A P46098 1/20 0.31
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30

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
SCHEMBL20274838 0.89 DRD3 (0.37) HTR2CHTR2ADRD3KDM4EMEN1
SCHEMBL2528702 0.71 CHRNB2 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL13394781 0.71 DRD3 (0.38) DRD3KDM4EMEN1MAPTALOX15
SCHEMBL12283351 0.70 HDAC6 (0.47) —
SCHEMBL20082396 0.66 PDCD1 (0.42) HSD17B10CXCR4
SCHEMBL13666315 0.66 HTR2C (0.35) HTR2CHTR2ADRD3SOD3HTR1A
SCHEMBL16814033 0.66 PDCD1 (0.42) HTR2CHTR2ACXCR4SOD3
SCHEMBL13663748 0.66 HPGD (0.34) HTR2CHTR2ASOD3HTR1AHTR3A
SCHEMBL14249642 0.65 HTR2A (0.36) HTR2CHTR2ASOD3
SCHEMBL2733929 0.65 HTR2C (0.36) HTR2CHTR2ADRD3KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160311802-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2016-10-27 — — 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 (1 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-20160311802-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN HTR2C 3284/4885HTR2A 4104/4885DRD3 4289/4885

“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.

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