SCHEMBL14738967

SCHEMBL14738967

O=C(O)n1nc(I)c2cc(OC(F)F)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 1/20 0.36
CPT1B Q92523 1/20 0.36
ELANE P08246 3/20 0.36
GRM2 Q14416 1/20 0.35
ALDH1A1 P00352 3/20 0.35
ATM Q13315 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
HSP90AA1 P07900 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
CCR6 P51684 1/20 0.35
ALOX15 P16050 1/20 0.35
GFER P55789 1/20 0.35
ADAM17 P78536 1/20 0.35
PLA2G4A P47712 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL14737311 0.82 MAP2K4 (0.41) CPT1ACPT1BELANEALDH1A1SYK
SCHEMBL14737228 0.78 SYK (0.41) ALDH1A1ATMKMT2AMEN1LMNA
SCHEMBL14738410 0.76 CA12 (0.41) ELANEALDH1A1HSP90AA1HPGDTSHR
SCHEMBL14739013 0.76 ELANE (0.36) ELANEALDH1A1LMNAPKMHPGD
SCHEMBL3518728 0.75 CHEK1 (0.39) ELANEALDH1A1KMT2AMEN1PKM
SCHEMBL9952327 0.71 ELANE (0.45) ELANEPOLB
SCHEMBL24052284 0.70 MRGPRX4 (0.43) CPT1ACPT1BMRGPRX4
SCHEMBL26131293 0.70 CYP4F2 (0.38) ALDH1A1KMT2AMEN1TSHRPOLB
SCHEMBL2305653 0.69 HTR3A (0.32)
SCHEMBL14737581 0.69 SYK (0.49) CPT1ACPT1BKMT2ALMNAHTT

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 5 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 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 CPT1A 4208/4885CPT1B 4449/4885ELANE 4021/4885

“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.