SCHEMBL2533944

SCHEMBL2533944

Cc1cc2c3cc(C(F)(F)F)ccc3nc(N3CCNCC3)n2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 8/20 0.49
ADRB2 P07550 4/20 0.45
HTR2C P28335 3/20 0.45
ADRA2A P08913 1/20 0.45
AXL P30530 1/20 0.45
HRH1 P35367 1/20 0.45
HTR2B P41595 1/20 0.45
HTR6 P50406 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
NCF1 P14598 3/20 0.44
HTR1D P28221 2/20 0.43
ADRB1 P08588 3/20 0.41
HRH4 Q9H3N8 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40

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
SCHEMBL2467734 0.88 ADRB2 (0.44) ADRB2HTR2CADRA2AHTR2BHTR1D
SCHEMBL12225290 0.85 ADRB2 (0.49) SOS1ADRB2HTR2CADRA2AAXL
SCHEMBL442398 0.83 HRH4 (0.51) SOS1ADRB2HTR2CADRA2AAXL
SCHEMBL442312 0.80 SOS1 (0.47) SOS1ADRB2HTR2CADRA2AAXL
SCHEMBL2467933 0.78 SOS1 (0.45) SOS1ADRB2HTR2CADRA2AAXL
SCHEMBL10013931 0.76 ADRB2 (0.50) SOS1ADRB2HTR2CADRA2AAXL
SCHEMBL440396 0.76 PDE10A (0.53) SOS1ADRB2HTR2CADRA2AAXL
SCHEMBL2710696 0.73 HTR1D (0.58) SOS1ADRB2HTR2CNCF1HTR1D
SCHEMBL2464872 0.73 ADRB2 (0.47) SOS1ADRB2HTR2CADRA2AAXL
SCHEMBL404658 0.72 ADRB2 (0.57) SOS1ADRB2HTR2CADRA2AAXL

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-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 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 (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-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 SOS1 3564/4885ADRB2 571/4885HTR2C 145/4885

“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.