SCHEMBL14738426

SCHEMBL14738426

NC(=O)[C@H]1[CH]CCN1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
GRM6 O15303 1/20 0.43
GAA P10253 1/20 0.41
CYP2C19 P33261 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GBA1 P04062 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL1034082 1.00 SPHK1 (0.43) SPHK1SIRT1GRM6GAACYP2C19
SCHEMBL15007429 0.91 SPHK1 (0.46) SPHK1SIRT1GRM6TSHRKMT2A
SCHEMBL3173400 0.88 SPHK1 (0.45) SPHK1NPC1RAB9ASMN1; SMN2
SCHEMBL8047101 0.83 KDM4E (0.50) SIRT1SIGMAR1POLBALDH1A1
SCHEMBL1031622 0.83 GRM2 (0.48) SIGMAR1KMT2A
SCHEMBL5259037 0.82 SPHK1 (0.41) SPHK1SIRT1GRM6GAACYP2C19
SCHEMBL3733603 0.81 SIRT2 (0.46) SIRT1GAASMN1; SMN2SIGMAR1ALDH1A1
SCHEMBL3743415 0.81 GRM2 (0.45) GAACYP2C19NPC1RAB9ASIGMAR1
SCHEMBL6411650 0.80 SIRT2 (0.51) SIRT1SIGMAR1POLBKMT2AALDH1A1
SCHEMBL7419587 0.80 SIRT2 (0.51) SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP claimed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US claimed
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
EP-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO 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 SPHK1 350/4885SIRT1 3304/4885GRM6 4375/4885

“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.