SCHEMBL3339730

SCHEMBL3339730

Cc1csc2ncnc(NCc3ccc(F)cc3F)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MRGPRX1 Q96LB2 1/20 0.44
AURKB Q96GD4 2/20 0.44
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CHRM4 P08173 1/20 0.43
PIP4K2C Q8TBX8 1/20 0.42
GAA P10253 2/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
NOD2 Q9HC29 1/20 0.39
TNF P01375 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL3338956 0.85 MEN1 (0.60) HTTRAB9ASMN1; SMN2MRGPRX1AURKA
SCHEMBL3339949 0.83 RAB9A (0.52) HTTRAB9ASMN1; SMN2MRGPRX1PIP4K2C
SCHEMBL3340230 0.81 RAB9A (0.51) HTTRAB9ASMN1; SMN2AURKBAURKA
SCHEMBL3338968 0.80 RAB9A (0.49) HTTRAB9ASMN1; SMN2MRGPRX1AURKB
SCHEMBL3339698 0.80 SMN1; SMN2 (0.52) HTTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3340533 0.80 RAB9A (0.49) HTTRAB9ASMN1; SMN2MRGPRX1AURKA
SCHEMBL3339118 0.79 LMNA (0.50) HTTRAB9ASMN1; SMN2AURKBMEN1
SCHEMBL3338893 0.77 EGFR (0.51) HTTRAB9ASMN1; SMN2MRGPRX1CHRM4
SCHEMBL3339804 0.76 MEN1 (0.64) HTTRAB9ASMN1; SMN2MRGPRX1MEN1
SCHEMBL13431474 0.76 HTT (0.62) HTTRAB9ASMN1; SMN2MRGPRX1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 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 (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-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH2, HRH3 HTT 383/4885RAB9A 2578/4885SMN1; SMN2 4740/4885

“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.