SCHEMBL4472579

SCHEMBL4472579

CCCc1cccc(-c2ccccn2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.54
CTSS P25774 3/20 0.50
CTSK P43235 2/20 0.50
FFAR1 O14842 1/20 0.49
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP19A1 P11511 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TGFBR1 P36897 1/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CYP2A6 P11509 1/20 0.43
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
HCRTR1 O43613 2/20 0.42
HCRTR2 O43614 2/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
CCR1 P32246 2/20 0.42

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
SCHEMBL22387811 0.90 CYP1A2 (0.53) HRH3CTSSCTSKFFAR1CYP1A2
SCHEMBL2486689 0.88 CYP1A2 (0.50) HRH3FFAR1CYP1A2CYP2D6CYP19A1
SCHEMBL8270139 0.86 HRH3 (0.56) HRH3CTSSCTSKFFAR1CYP1A2
SCHEMBL20200083 0.86 FFAR1 (0.58) HRH3CTSSFFAR1CYP1A2TGFBR1
SCHEMBL3779112 0.86 CYP1A2 (0.48) HRH3FFAR1CYP1A2CYP2D6CYP19A1
SCHEMBL16203116 0.85 CYP1A2 (0.48) HRH3FFAR1CYP1A2CYP2D6CYP19A1
SCHEMBL2481791 0.84 CYP1A2 (0.50) HRH3FFAR1CYP1A2CYP2D6CYP19A1
SCHEMBL5266894 0.83 HRH3 (0.54) HRH3FFAR1CYP1A2TGFBR1CYP2A6
SCHEMBL1139044 0.83 HRH3 (0.57) HRH3CTSSFFAR1CYP1A2TGFBR1
SCHEMBL1138657 0.83 HRH3 (0.54) HRH3CTSSFFAR1CYP1A2TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101835745-B Method for producing disulfonic acid compound, asymmetric mannich catalyst, method for producing beta-aminocarbonyl derivative, and disulfonate salt UNIV NAGOYA NAT UNIV CORP 2013-08-28 CN disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
CN-101835745-A Method for producing disulfonic acid compound, asymmetric mannich catalyst, method for producing beta-aminocarbonyl derivative, and novel disulfonate UNIV NAGOYA NAT UNIV CORP 2010-09-15 CN 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-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK HRH3 1134/4885CTSS 3506/4885CTSK 2136/4885

“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.