SCHEMBL692740

SCHEMBL692740

COc1ccc(Cn2nc(C#N)c(N)c2N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 2/20 0.46
GLA P06280 1/20 0.46
ALOX15 P16050 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 2/20 0.44
CYP19A1 P11511 1/20 0.41
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL20581254 0.88 KMT2A (0.55) PDE8BCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1076537 0.81 TSHR (0.60) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL692418 0.80 CYP1A2 (0.52) PDE8BCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1074366 0.78 CYP1A2 (0.51) PDE8BCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16731504 0.76 SMN1; SMN2 (0.43) PDE8BALDH1A1KMT2AKDM4EGAA
SCHEMBL31512385 0.76 CNR2 (0.62) PDE8BALDH1A1KMT2AKDM4EGAA
SCHEMBL14842958 0.76 CNR2 (0.62) PDE8BALDH1A1KMT2AKDM4EGAA
SCHEMBL1074412 0.75 NPC1 (0.56) ALDH1A1KMT2AHPGDMAPTNPC1
SCHEMBL16014455 0.75 KMT2A (0.54) PDE8BCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1076294 0.74 CYP1A2 (0.47) PDE8BCYP1A2CYP3A4CYP2D6CYP2C9

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274286-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF The Procter & Gamble Company (US) 2011-01-19 EP claimed
US-7850742-B2 Keratin dyeing compounds, keratin dyeing compositions containing said compounds, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2010-12-14 US claimed
WO-2009140451-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2009-11-19 WO claimed
US-20090282622-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Said Compounds, and Use Thereof NOXELL CORPORATION 2009-11-19 US claimed
EP-3733827-A1 DELIVERY PARTICLES The Procter & Gamble Company (US) 2020-11-04 EP disclosed
EP-2563508-B1 DELIVERY PARTICLE PROCTER & GAMBLE (US) 2019-07-10 EP disclosed
US-20190142714-A1 DELIVERY PARTICLE PROCTER & GAMBLE (US) 2019-05-16 US disclosed
US-20180360706-A1 Delivery Particles PROCTER & GAMBLE (US) 2018-12-20 US disclosed
EP-2308564-B1 Thickened hair colourant and bleaching compositions NOXELL CORP (US) 2018-12-19 EP disclosed
US-9993793-B2 Delivery particles THE PROCTER & GAMBLE COMPANY (US) 2018-06-12 US disclosed
US-9221028-B2 Delivery particles THE PROCTER & GAMBLE COMPANY (US) 2015-12-29 US disclosed
US-20150351517-A1 HAIR COLOURING KIT CONOPCO, INC.,D/B/A UNILEVER (US) 2015-12-10 US disclosed
US-7850742-B2 Keratin dyeing compounds, keratin dyeing compositions containing said compounds, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2010-12-14 US disclosed
WO-2010123866-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2010-10-28 WO disclosed
WO-2010123863-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2010-10-28 WO disclosed
WO-2010084480-A2 DELIVERY PARTICLES THE PROCTER & GAMBLE COMPANY (US) 2010-07-29 WO disclosed
WO-2010079466-A2 DELIVERY PARTICLES THE PROCTER & GAMBLE COMPANY (US) 2010-07-15 WO disclosed
WO-2010079468-A2 DELIVERY PARTICLE THE PROCTER & GAMBLE COMPANY (US) 2010-07-15 WO disclosed
WO-2009140451-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2009-11-19 WO disclosed
US-20090282622-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Said Compounds, and Use Thereof NOXELL CORPORATION 2009-11-19 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 (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-20180360706-A1 Delivery Particles LIPA, CHMP4B, ABCB4 PDE8B 998/4885CYP1A2 2540/4885CYP3A4 3096/4885
US-20190142714-A1 DELIVERY PARTICLE LIPA, CHMP4B, SLC46A1 PDE8B 1064/4885CYP1A2 2564/4885CYP3A4 3163/4885
US-20090282622-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Said Compounds, and Use Thereof KRT18, TUBB3, PPOX PDE8B 4529/4885CYP1A2 446/4885CYP3A4 197/4885

“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.