SCHEMBL2568941

SCHEMBL2568941

COC(=O)c1cc2nccn2c(Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 5/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CFTR P13569 2/20 0.35
NOTUM Q6P988 1/20 0.35
AURKA O14965 1/20 0.34
JAK2 O60674 1/20 0.34
MAP4K4 O95819 1/20 0.34
INSR P06213 1/20 0.34
LCK P06239 1/20 0.34
LYN P07948 1/20 0.34
RET P07949 1/20 0.34
ROS1 P08922 1/20 0.34
SRC P12931 1/20 0.34
FER P16591 1/20 0.34
KDR P35968 1/20 0.34
SYK P43405 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
SCHEMBL2573014 0.84 LCK (0.38) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL16516653 0.81 APOBEC3A (0.45) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL14694274 0.74 TNK2 (0.38) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL26650539 0.73 MAPT (0.42) NQO2ALDH1A1KDM4ESMN1; SMN2JAK2
Hydrochloric Acid SCHEMBL14954431 0.73 TNK2 (0.37) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL14873646 0.72
SCHEMBL4256454 0.72 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL30554130 0.71 PIK3C3 (0.37) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL28873688 0.71 ADORA2A (0.37) ALDH1A1KDM4EMAP4K4KDRMAP4K2
SCHEMBL2571757 0.70 PDE10A (0.33) MAP4K4KDRMAP4K2AURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170210724-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-07-27 US disclosed
US-20170210724-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-07-27 US disclosed
US-20170210724-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-07-27 US disclosed
US-20160185797-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2016-06-30 US disclosed
EP-3036229-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2016-06-29 EP disclosed
EP-2558468-B1 5, 7-SUBSTITUTED-IMIDAZO [1,2-C] PYRIMIDINES AS INHIBITORS OF JAK KINASES ARRAY BIOPHARMA INC (US) 2015-04-01 EP disclosed
WO-2015025026-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 WO disclosed
WO-2015025026-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 WO disclosed
US-20150057260-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2015-02-26 US disclosed
US-20150057260-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2015-02-26 US disclosed
US-20150057260-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2015-02-26 US disclosed
US-8962596-B2 5,7-substituted-imidazo[1,2-C]pyrimidines as inhibitors of JAK kinases ARRAY BIOPHARMA INC. (US) 2015-02-24 US disclosed
US-20130131039-A1 5,7-SUBSTITUTED-IMIDAZO[1,2-C]PYRIMIDINES AS INHIBITORS OF JAK KINASES ARRAY BIOPHARMA INC. (US) 2013-05-23 US disclosed
EP-2558468-A1 5, 7-SUBSTITUTED-IMIDAZO [1, 2-C]PYRIMIDINES AS INHIBITORS OF JAK KINASES Array Biopharma, Inc. (US) 2013-02-20 EP disclosed
WO-2011130146-A1 5, 7-SUBSTITUTED-IMIDAZO [1, 2-C] PYRIMIDINES AS INHIBITORS OF JAK KINASES ARRAY BIOPHARMA INC. (US) 2011-10-20 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 (4 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-20150057260-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, NFKBIA NQO2 1583/4885ALDH1A1 25/4885KDM4E 2642/4885
US-20170210724-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, NFKBIA NQO2 1583/4885ALDH1A1 25/4885KDM4E 2642/4885
US-20130131039-A1 5,7-SUBSTITUTED-IMIDAZO[1,2-C]PYRIMIDINES AS INHIBITORS OF JAK KINASES JAK1, JAK3, JAK2 NQO2 1821/4885ALDH1A1 2487/4885KDM4E 1383/4885
US-20160185797-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, NFKBIA NQO2 1583/4885ALDH1A1 25/4885KDM4E 2642/4885

“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.