SCHEMBL1982108

SCHEMBL1982108

c1cc(C2CC2)c2cc[nH]c2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 3/20 0.52
AXL P30530 1/20 0.52
AKT2 P31751 1/20 0.49
JAK2 O60674 7/20 0.48
JAK3 P52333 7/20 0.48
JAK1 P23458 6/20 0.48
ROCK1 Q13464 2/20 0.46
ACVR1 Q04771 2/20 0.46
AURKB Q96GD4 2/20 0.46
IKBKB O14920 1/20 0.46
CHUK O15111 1/20 0.46
DAPK3 O43293 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
PAK4 O96013 1/20 0.46
CSF1R P07333 1/20 0.46
RET P07949 1/20 0.46
IGF1R P08069 1/20 0.46
FGFR1 P11362 1/20 0.46
PRKACA P17612 1/20 0.46

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
SCHEMBL2279760 0.91 JAK3 (0.55) PRKCIAXLAKT2JAK2JAK3
SCHEMBL12605434 0.90 ROCK1 (0.56) PRKCIAXLAKT2JAK2JAK3
SCHEMBL12605431 0.89 CHEK1 (0.46) PRKCIAXLAKT2JAK2JAK3
SCHEMBL1723773 0.82 PRKCI (0.42) PRKCIAXLAKT2JAK2JAK3
SCHEMBL4063065 0.81 JAK2 (0.56) PRKCIAXLAKT2JAK2JAK3
SCHEMBL30009345 0.81 JAK1 (0.60) JAK2JAK3JAK1IKBKBCHUK
SCHEMBL21821940 0.80 PRKCI (0.44) PRKCIAXLAKT2JAK2JAK3
SCHEMBL1724113 0.79 PRKCI (0.46) PRKCIAXLAKT2JAK2JAK3
SCHEMBL1752752 0.77 PRKCI (0.47) PRKCIAXLAKT2JAK2JAK3
SCHEMBL1723803 0.77 PRKCI (0.44) PRKCIAXLAKT2JAK2JAK3

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
US-9617267-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-04-11 US disclosed
EP-2501236-B1 N-[2-fluoro-3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-benzenesulfonamide derivatives as Raf protein kinase modulators for the treatment of cancer PLEXXIKON INC (US) 2017-03-29 EP disclosed
CN-105906631-A Compounds and methods for kinase modulation, and indications therefor 普莱希科公司 2016-08-31 CN disclosed
US-20140288070-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-09-25 US disclosed
US-8673928-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-03-18 US disclosed
CN-102740698-A Compounds and methods for kinase modulation and indications therefor PLEXXIKON INC 2012-10-17 CN disclosed
US-20110152258-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON INC. 2011-06-23 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-20110152258-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, KRAS, RAF1 PRKCI 151/4885AXL 364/4885AKT2 146/4885
US-20140288070-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, KRAS, RAF1 PRKCI 151/4885AXL 364/4885AKT2 146/4885

“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.