SCHEMBL442312

SCHEMBL442312

FC(F)(F)c1ccc2nc(N3CCNCC3)n3nc(C(F)(F)F)nc3c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 4/20 0.47
ADRB2 P07550 3/20 0.46
NCF1 P14598 1/20 0.46
ADRB1 P08588 2/20 0.42
HTR2C P28335 3/20 0.42
HTR1D P28221 2/20 0.42
HTR6 P50406 3/20 0.41
ADRA2A P08913 1/20 0.41
AXL P30530 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
HRH4 Q9H3N8 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41

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
SCHEMBL404658 0.87 ADRB2 (0.57) SOS1ADRB2NCF1ADRB1HTR2C
SCHEMBL442398 0.87 HRH4 (0.51) SOS1ADRB2NCF1ADRB1HTR2C
SCHEMBL442228 0.86 DGAT1 (0.45) ADRB2HTR2CHTR1DADRA2AHTR2B
SCHEMBL2467933 0.84 SOS1 (0.45) SOS1ADRB2NCF1ADRB1HTR2C
SCHEMBL10013931 0.83 ADRB2 (0.50) SOS1ADRB2NCF1ADRB1HTR2C
SCHEMBL2533944 0.80 SOS1 (0.49) SOS1ADRB2NCF1ADRB1HTR2C
SCHEMBL2464872 0.79 ADRB2 (0.47) SOS1ADRB2NCF1ADRB1HTR2C
SCHEMBL440396 0.78 PDE10A (0.53) SOS1ADRB2NCF1ADRB1HTR2C
SCHEMBL437372 0.76 CCNE2 (0.43) KDM4ECCNE2CCNA2CCNE1CDK2
SCHEMBL440877 0.74 HRH4 (0.50) ADRB2HTR2CHTR1DHTR2BHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 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
EP-2324029-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2011-05-25 EP disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
WO-2010030785-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 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 (3 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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 SOS1 3564/4885ADRB2 571/4885NCF1 1279/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 SOS1 3564/4885ADRB2 571/4885NCF1 1279/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 SOS1 3564/4885ADRB2 571/4885NCF1 1279/4885

“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.