SCHEMBL2645833

SCHEMBL2645833

CCN=C=NCCCN(C)C.[HH]

nearest known ligand 0.96

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.96
CYP2D6 P10635 1/20 0.96
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
DNM1 Q05193 3/20 0.36
HRH4 Q9H3N8 2/20 0.32
HRH2 P25021 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL4798477 0.98 CYP1A2 (1.00) CYP1A2CYP2D6ALDH1A1TSHRDNM1
SCHEMBL1372 0.98 CYP1A2 (1.00) CYP1A2CYP2D6ALDH1A1TSHRDNM1
Hydrochloric Acid SCHEMBL1595766 0.96 CYP1A2 (0.96) CYP1A2CYP2D6ALDH1A1TSHRDNM1
Ammonia Solution, Strong SCHEMBL21805838 0.96 CYP1A2 (0.96) CYP1A2CYP2D6ALDH1A1TSHRDNM1
Iodide SCHEMBL660783 0.96 CYP1A2 (0.96) CYP1A2CYP2D6ALDH1A1TSHRDNM1
Hydrochloric Acid SCHEMBL2761 0.96 CYP1A2 (0.96) CYP1A2CYP2D6ALDH1A1TSHRDNM1
SCHEMBL2597843 0.96 CYP1A2 (0.96) CYP1A2CYP2D6ALDH1A1TSHRDNM1
Bromide SCHEMBL22418547 0.96 CYP1A2 (0.96) CYP1A2CYP2D6ALDH1A1TSHRDNM1
Water SCHEMBL1475933 0.96 CYP1A2 (0.96) CYP1A2CYP2D6ALDH1A1TSHRDNM1
SCHEMBL31435659 0.96 CYP1A2 (0.96) CYP1A2CYP2D6ALDH1A1TSHRDNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180370966-A1 METHODS OF TREATMENT USING PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2018-12-27 US disclosed
US-9873693-B2 Methods of treatment using pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-01-23 US disclosed
CN-101541783-B pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2014-10-01 CN disclosed
US-8778977-B2 Pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
EP-2038272-B1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS INC (US) 2013-09-04 EP disclosed
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHAMACEUTICALS (US) 2010-06-10 US disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
CN-101541783-A Pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS (US) 2009-09-23 CN disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 EP 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 (3 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-20180370966-A1 METHODS OF TREATMENT USING PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 CYP1A2 4714/4885CYP2D6 4419/4885ALDH1A1 2166/4885
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 CYP1A2 4561/4885CYP2D6 4169/4885ALDH1A1 1905/4885
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 CYP1A2 2216/4885CYP2D6 1491/4885ALDH1A1 1188/4885

“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.