SCHEMBL14737962

SCHEMBL14737962

Cn1nc(I)c2cc(C(F)(F)F)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.41
PKM P14618 1/20 0.38
CCR2 P41597 9/20 0.38
KCNH2 Q12809 8/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RORA P35398 1/20 0.37
RORC P51449 1/20 0.37
RORB Q92753 1/20 0.37
CYP3A4 P08684 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
HTR1A P08908 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL14736647 0.87 KIF11 (0.49) KIF11PKMKDM4EALDH1A1MAPT
SCHEMBL26121589 0.82 TNKS (0.35) MAPTNPSR1
SCHEMBL13106172 0.81 ADORA2A (0.53) KIF11PKMCCR2KCNH2KDM4E
Ammonia Solution, Strong SCHEMBL28811085 0.80 ADORA2A (0.52) KIF11PKMCCR2KCNH2KDM4E
SCHEMBL30054489 0.80 SCN9A (0.42) KIF11PKMCCR2KCNH2KDM4E
SCHEMBL2634528 0.80 SCN9A (0.42) KIF11PKMCCR2KCNH2KDM4E
SCHEMBL17968831 0.80 BRD9 (0.44) KIF11PKMCCR2KCNH2MAPT
SCHEMBL18538052 0.79 MAPT (0.41) KIF11PKMCCR2KCNH2KDM4E
SCHEMBL17686457 0.77 MEN1 (0.41) KDM4EALDH1A1MAPTTSHRHSD17B10
SCHEMBL14737933 0.76 ELANE (0.40) KIF11KDM4EHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017031325-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. (US) 2017-02-23 WO disclosed
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
CN-104024258-B Pyrrolopyrazine kinase inhibitors 霍夫曼-拉罗奇有限公司 2017-02-15 CN disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 US disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 US disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 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-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 KIF11 4243/4885PKM 1088/4885CCR2 1903/4885

“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.