SCHEMBL3339732

SCHEMBL3339732

Cc1csc2ncnc(NCCc3ccccc3F)c12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
HTT P42858 2/20 0.66
MRGPRX1 Q96LB2 1/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 3/20 0.46
RXFP1 Q9HBX9 2/20 0.46
NOD2 Q9HC29 1/20 0.46
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
PIP4K2C Q8TBX8 2/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
ALDH1A1 P00352 3/20 0.42
TAAR1 Q96RJ0 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL3338956 0.88 MEN1 (0.60) RAB9ASMN1; SMN2HTTMRGPRX1MEN1
SCHEMBL3341401 0.86 SMN1; SMN2 (0.66) RAB9ASMN1; SMN2HTTMEN1KMT2A
SCHEMBL3341524 0.84 RAB9A (0.64) RAB9ASMN1; SMN2HTTMRGPRX1MEN1
SCHEMBL8497061 0.84 RAB9A (0.64) RAB9ASMN1; SMN2HTTMRGPRX1MEN1
SCHEMBL13431474 0.81 HTT (0.62) RAB9ASMN1; SMN2HTTMRGPRX1MEN1
SCHEMBL13431475 0.79 RAB9A (0.60) RAB9ASMN1; SMN2HTTMRGPRX1MEN1
SCHEMBL3339076 0.79 HTT (0.60) RAB9ASMN1; SMN2HTTMEN1KMT2A
SCHEMBL13431476 0.78 SMN1; SMN2 (0.65) RAB9ASMN1; SMN2HTTMEN1KMT2A
SCHEMBL8482940 0.77 MEN1 (0.77) RAB9ASMN1; SMN2HTTMRGPRX1MEN1
SCHEMBL3345335 0.77 RAB9A (0.54) RAB9ASMN1; SMN2HTTMEN1KMT2A

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 RAB9A 2578/4885SMN1; SMN2 4740/4885HTT 383/4885

“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.