SCHEMBL3979969

SCHEMBL3979969

Brc1cnc(Oc2cccnc2)nc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
CYP19A1 P11511 3/20 0.45
HPGDS O60760 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRNB2 P17787 3/20 0.42
CHRNA4 P43681 3/20 0.42
LTA4H P09960 3/20 0.42
HTT P42858 1/20 0.41
MAP4K4 O95819 2/20 0.41
GRM5 P41594 1/20 0.40
ACACB O00763 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40

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
SCHEMBL28525554 0.84 LMNA (0.61) LMNATDP1CYP11B1CYP11B2CYP19A1
SCHEMBL20176880 0.81 LMNA (0.53) LMNATDP1CYP11B1CYP11B2CYP19A1
SCHEMBL2313930 0.80 MEN1 (0.55) HPGDSALDH1A1SMN1; SMN2LTA4HHTT
SCHEMBL18554989 0.79 FFAR1 (0.40) LMNAHPGDSALDH1A1SMN1; SMN2LTA4H
SCHEMBL14820292 0.77 LMNA (0.49) LMNATDP1CYP11B1CYP11B2CYP19A1
SCHEMBL30535283 0.77 LMNA (0.82) LMNATDP1CYP11B1CYP11B2CYP19A1
SCHEMBL676142 0.77 LMNA (0.82) LMNATDP1CYP11B1CYP11B2CYP19A1
SCHEMBL788675 0.77 LMNA (0.62) LMNATDP1CYP11B1CYP11B2CYP19A1
SCHEMBL3978652 0.76 GRM5 (0.35) SMN1; SMN2GRM5
SCHEMBL8304733 0.76 LMNA (0.66) LMNATDP1CYP11B1CYP11B2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440969-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-09-13 US disclosed
US-9440969-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-09-13 US disclosed
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2015-03-19 US disclosed
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2015-03-19 US disclosed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US disclosed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US disclosed
WO-2011079133-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-06-30 WO disclosed
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
WO-2009058937-A2 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-05-07 WO 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 (3 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-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS LMNA 3930/4885TDP1 3781/4885CYP11B1 146/4885
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS LMNA 3930/4885TDP1 3781/4885CYP11B1 146/4885
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AHR, MALT1, ABL1 LMNA 1994/4885TDP1 1490/4885CYP11B1 18/4885

“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.