SCHEMBL3338893

SCHEMBL3338893

Cc1csc2ncnc(NCc3ccc(F)c(Cl)c3)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.51
ERBB2 P04626 2/20 0.51
ESR1 P03372 1/20 0.47
RAB9A P51151 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
GRM4 Q14833 1/20 0.44
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
KDR P35968 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
NOD2 Q9HC29 1/20 0.42
PIP4K2C Q8TBX8 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 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
SCHEMBL3341706 0.90 ESR1 (0.50) EGFRERBB2ESR1RAB9AHTT
SCHEMBL3340533 0.90 RAB9A (0.49) EGFRERBB2ESR1RAB9AHTT
SCHEMBL3339844 0.86 LMNA (0.57) EGFRESR1RAB9AHTTSMN1; SMN2
SCHEMBL3339831 0.84 HTT (0.51) EGFRESR1RAB9AHTTSMN1; SMN2
SCHEMBL3339949 0.83 RAB9A (0.52) EGFRERBB2ESR1RAB9AHTT
SCHEMBL3340270 0.83 RAB9A (0.52) ESR1RAB9AHTTSMN1; SMN2LMNA
SCHEMBL3340230 0.81 RAB9A (0.51) EGFRRAB9AHTTSMN1; SMN2LMNA
SCHEMBL3338968 0.81 RAB9A (0.49) EGFRESR1RAB9AHTTSMN1; SMN2
SCHEMBL3339118 0.79 LMNA (0.50) EGFRESR1RAB9AHTTSMN1; SMN2
SCHEMBL3339911 0.78 TNF (0.65) EGFRRAB9AHTTSMN1; SMN2LMNA

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 EGFR 1519/4885ERBB2 1127/4885ESR1 3307/4885

“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.