SCHEMBL20526565

SCHEMBL20526565

CSc1nccc(Nc2ccc(Cl)cc2I)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 2/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 2/20 0.37
KDR P35968 3/20 0.37
BRAF P15056 2/20 0.37
SRC P12931 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
ROCK1 Q13464 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35

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
SCHEMBL20526610 0.80 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL20526609 0.80 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL28661987 0.76 MEN1 (0.39) CYP1A2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL13963139 0.71 ROCK1 (0.51) MEN1KMT2ANPC1RAB9AGAA
Hydrochloric Acid SCHEMBL4519675 0.70 ROCK1 (0.50) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL12602964 0.69 MEN1 (0.38) CYP1A2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL21676894 0.69 MEN1 (0.62) CYP1A2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL20632859 0.68 ROCK1 (0.45) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL20526566 0.68 MAPT (0.42) CYP1A2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL2228112 0.67 AURKA (0.59) MEN1KMT2ANPC1RAB9ALMNA

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
US-10172856-B2 2,4-diaminopyrimidine derivatives as histamine H4 modulators JANSSEN PHARMACEUTICA NV (BE) 2019-01-08 US disclosed
WO-2018187652-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES AS HISTAMINE H4 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-10-11 WO disclosed
US-20180289706-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES AS HISTAMINE H4 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-10-11 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 (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-10172856-B2 2,4-diaminopyrimidine derivatives as histamine H4 modulators HRH4, HRH3, HRH2 CYP1A2 3052/4885CYP3A4 1568/4885CYP2C9 2729/4885
US-20180289706-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES AS HISTAMINE H4 MODULATORS HRH4, HRH3, HRH2 CYP1A2 3052/4885CYP3A4 1568/4885CYP2C9 2729/4885

“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.