SCHEMBL2491275

SCHEMBL2491275

CC1Cc2ccc(Br)cc2CN1c1cc(Cl)nc(N)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 1/20 0.38
ROCK1 Q13464 4/20 0.37
HSP90AA1 P07900 1/20 0.35
ADRA2A P08913 3/20 0.35
PNMT P11086 3/20 0.35
ADRA2B P18089 3/20 0.35
ADRA2C P18825 3/20 0.35
LMNA P02545 3/20 0.35
MAP3K14 Q99558 1/20 0.34
HRH4 Q9H3N8 2/20 0.32
CTSD P07339 1/20 0.32
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
S1PR2 O95136 1/20 0.31
ALOX12 P18054 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
OPRM1 P35372 1/20 0.31

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
SCHEMBL2491430 0.83 HRH4 (0.51) HRH4
SCHEMBL2513099 0.79 KDM1A (0.41) MAPTCYP1A2CYP2D6KMT2A
SCHEMBL2550299 0.79 PIK3CD (0.36) MAPTCYP1A2CYP2D6KMT2AROCK1
SCHEMBL15257826 0.69 HRH4 (0.51) HRH4
SCHEMBL2987808 0.68 HRH4 (0.47) HRH4
SCHEMBL604918 0.68 HRH4 (0.70) HRH4
SCHEMBL18550568 0.68 HRH4 (0.70) HRH4
SCHEMBL606220 0.68 HRH4 (0.70) HRH4
SCHEMBL604919 0.68 HRH4 (0.70) HRH4
SCHEMBL3205548 0.67 MAPT (0.51) MAPTCYP1A2CYP2D6KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130244999-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2013-09-19 US disclosed
US-20130244999-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2013-09-19 US disclosed
US-20130244999-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2013-09-19 US disclosed
US-8436008-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-05-07 US disclosed
US-8436008-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-05-07 US disclosed
US-8436008-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-05-07 US disclosed
EP-2379523-A1 4, 6-DISUBSTITUTED 2-AMINO-PYRIMIDINES AS HISTAMINE H4 RECEPTOR MODULATORS Incyte Corporation (US) 2011-10-26 EP disclosed
US-20100173901-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2010-07-08 US disclosed
US-20100173901-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2010-07-08 US disclosed
US-20100173901-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2010-07-08 US disclosed
WO-2010075270-A1 4, 6-DISUBSTITUTED 2-AMINO-PYRIMIDINES AS HISTAMINE H4 RECEPTOR MODULATORS INCYTE CORPORATION (US) 2010-07-01 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 (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-20100173901-A1 Substituted Heterocyclic Compounds HRH4, HRH2, HRH1 MAPT 2644/4885CYP1A2 858/4885CYP2D6 738/4885
US-20130244999-A1 Substituted Heterocyclic Compounds HRH4, HRH2, HRH1 MAPT 2644/4885CYP1A2 858/4885CYP2D6 738/4885

“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.