SCHEMBL9908374

SCHEMBL9908374

CCc1cnc(OCCCN(C)C)nc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HRH3 Q9Y5N1 5/20 0.43
LSS P48449 1/20 0.39
HRH1 P35367 1/20 0.38
HTR1B P28222 1/20 0.37

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
SCHEMBL285472 0.79 HRH3 (0.45) ALDH1A1KDM4ESMN1; SMN2HRH3LSS
SCHEMBL22837834 0.79 KDM4E (0.43) ALDH1A1KDM4ESMN1; SMN2HRH3LSS
SCHEMBL9908278 0.77 HRH3 (0.47) ALDH1A1KDM4ESMN1; SMN2HRH3HRH1
SCHEMBL9906412 0.76 KCNH2 (0.42) ALDH1A1KDM4ESMN1; SMN2HRH3LSS
SCHEMBL22837835 0.76 LSS (0.47) ALDH1A1KDM4ESMN1; SMN2HRH3LSS
SCHEMBL15195574 0.73 RXRA (0.41)
SCHEMBL933238 0.73 KDM4E (0.44) ALDH1A1KDM4ESMN1; SMN2HRH3LSS
SCHEMBL12359378 0.72 HRH3 (0.73) ALDH1A1KDM4ESMN1; SMN2HRH3LSS
SCHEMBL25974821 0.71 CHRNB2 (0.44) KDM4EHRH3
SCHEMBL14301472 0.69 KDM4E (0.44) ALDH1A1KDM4ESMN1; SMN2HRH3LSS

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-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-09-27 US disclosed
US-8198273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-06-12 US disclosed
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON, INC. 2010-11-11 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-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, ARAF, RAF1 ALDH1A1 999/4885KDM4E 3363/4885SMN1; SMN2 4746/4885
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, RAF1 ALDH1A1 999/4885KDM4E 3363/4885SMN1; SMN2 4746/4885

“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.