SCHEMBL15907689

SCHEMBL15907689

CCc1cnc(N)c(C#Cc2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
MAP4K3 Q8IVH8 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTPN1 P18031 1/20 0.40
PTPN11 Q06124 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
DHFR P00374 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
SCHEMBL6488811 0.80 MAPT (0.46) MAPTMAP4K3KDM4EMEN1NPC1
SCHEMBL18952096 0.76 MAP4K3 (0.47) MAPTMAP4K3KDM4EMEN1NPC1
SCHEMBL6433774 0.76 PLAU (0.61) MAPTMAP4K3KDM4EMEN1NPC1
SCHEMBL2060261 0.76 GRM5 (0.48) MAPTKDM4ENPC1ALDH1A1CYP1A2
SCHEMBL4858207 0.74 GRM5 (0.45) KDM4EMEN1NPC1ALDH1A1CYP1A2
SCHEMBL3291997 0.73 ALDH1A1 (0.42) MAPTMAP4K3KDM4EMEN1NPC1
Hydrochloric Acid SCHEMBL4862760 0.72 GRM5 (0.44) NPC1SMN1; SMN2ADORA2AGRM5FFAR1
SCHEMBL20870213 0.72 DHFR (0.34) DHFR
SCHEMBL1772484 0.71 CASP3 (0.51) MAPTMAP4K3KDM4EMEN1NPC1
SCHEMBL23283107 0.69 GRM5 (0.49) MAPTGRM5GRM4APP

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-20170349572-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-12-07 US disclosed
US-9676748-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-06-13 US disclosed
US-20140213554-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-07-31 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-20140213554-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, PRKCH, PRKACA MAPT 3720/4885MAP4K3 46/4885KDM4E 1090/4885
US-20170349572-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, PRKCH, PRKACA MAPT 3720/4885MAP4K3 46/4885KDM4E 1090/4885

“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.