Sugi Predict

Sugi Predict / Compounds / SCHEMBL420614

SCHEMBL420614

SCHEMBL420614

Nc1n[nH]c2c(OCCCc3ccncc3)ccc(I)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 3/20 0.42
▸ ROCK2 O75116 3/20 0.42
▸ MAP4K4 O95819 3/20 0.42
▸ PIM1 P11309 3/20 0.42
▸ PRKACA P17612 3/20 0.42
▸ CDK2 P24941 3/20 0.42
▸ GSK3B P49841 3/20 0.42
▸ CLK4 Q9HAZ1 3/20 0.42
▸ IRAK4 Q9NWZ3 3/20 0.42
▸ HIPK2 Q9H2X6 2/20 0.42
▸ MAPK13 O15264 1/20 0.36
▸ MAPK12 P53778 1/20 0.36
▸ MAPK11 Q15759 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ PDPK1 O15530 1/20 0.35
▸ HRH1 P35367 2/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL420454 0.86 HRH4 (0.41) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL420433 0.76 KDR (0.51) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL423508 0.71 KDR (0.36) CDC7ROCK2MAP4K4PIM1PRKACA
SCHEMBL420358 0.69 IDO1 (0.40) PDPK1KDRFLT3KITCSF1R
SCHEMBL421542 0.68 GLRA3 (0.46) KDRKIT
SCHEMBL423869 0.68 ALDH1A1 (0.47) CYP2D6CYP2C9
SCHEMBL6012202 0.67 PDPK1 (0.32) PDPK1KDRFLT3KITPDGFRB
SCHEMBL423779 0.65 CYP11B1 (0.36) MAPK13MAPK12MAPK11MAPK14HRH4
SCHEMBL6175794 0.64 IDO1 (0.44) MAPK13MAPK12MAPK11MAPK14HRH1
SCHEMBL11750751 0.64 CDC7 (0.42) CDC7ROCK2MAP4K4PIM1PRKACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940778-B2 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBVIE INC. (US) 2015-01-27 — — US disclosed
US-8642776-B2 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBVIE INC. (US) 2014-02-04 — — US disclosed
US-20130245015-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBVIE INC (US) 2013-09-19 — — US disclosed
US-20130030189-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBVIE INC. (US) 2013-01-31 — — US disclosed
US-8299243-B2 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBVIE INC. (US) 2012-10-30 — — US disclosed
EP-2246333-B1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBOTT LAB (US) 2012-10-24 — — EP disclosed
CN-102417487-A Indazole, benzisoxazole and benzisothiazole kinase inhibitors ABBOTT LAB 2012-04-18 — — CN disclosed
US-20120022253-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2012-01-26 — — US disclosed
US-8063091-B2 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBOTT LABORATORIES (US) 2011-11-22 — — US disclosed
EP-2246333-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors Abbott Laboratories (US) 2010-11-03 — — EP disclosed
EP-1638941-B1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LAB (US) 2010-06-02 — — EP disclosed
US-20090286784-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-11-19 — — US disclosed
US-7598283-B2 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBOTT LABORATORIES, INC. (US) 2009-10-06 — — US disclosed
US-20080076767-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBVIE INC. 2008-03-27 — — US disclosed
US-7297709-B2 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBOTT LABORATORIES (US) 2007-11-20 — — US disclosed
CN-1826324-A Indazole, benzisoxazole and benzisothiazole kinase inhibitors ABBOTT LAB (US) 2006-08-30 — — CN disclosed
US-20050020603-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBVIE INC. 2005-01-27 — — 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 (6 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-20120022253-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK CDC7 294/4885ROCK2 367/4885MAP4K4 58/4885
US-20130245015-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK CDC7 294/4885ROCK2 367/4885MAP4K4 58/4885
US-20080076767-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK CDC7 294/4885ROCK2 367/4885MAP4K4 58/4885
US-20050020603-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABL1, BLK, BTK CDC7 294/4885ROCK2 367/4885MAP4K4 58/4885
US-20090286784-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK CDC7 294/4885ROCK2 367/4885MAP4K4 58/4885
US-20130030189-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK CDC7 294/4885ROCK2 367/4885MAP4K4 58/4885

“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.