SCHEMBL5366387

SCHEMBL5366387

CC(C)CCn1nccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 3/20 0.41
PKM P14618 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
TLR7 Q9NYK1 1/20 0.34
POLB P06746 2/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PRKDC P78527 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL10963680 0.84 KDM4E (0.42) KDM4EALDH1A1PKMSMN1; SMN2GAA
SCHEMBL6755827 0.81 KDM4E (0.57) KDM4EALDH1A1PKMSMN1; SMN2GAA
SCHEMBL22633135 0.80 KDM4E (0.48) KDM4EALDH1A1PKMSMN1; SMN2GAA
SCHEMBL16548434 0.78 MAPK1 (0.53) ALDH1A1MAPK1HTR2C
SCHEMBL2340816 0.78
SCHEMBL18250248 0.77 MAPK1 (0.36) ALDH1A1SMN1; SMN2GAAPOLBTP53
SCHEMBL20197195 0.77 ALDH1A1 (0.33) ALDH1A1GAAHTTMEN1MAPT
SCHEMBL16544521 0.76 ALDH1A1 (0.33) ALDH1A1TLR7POLBTP53HTT
SCHEMBL10725199 0.74 KDM4E (0.47) KDM4EALDH1A1PKMSMN1; SMN2GAA
SCHEMBL16815514 0.74 MAPK1 (0.34) ALDH1A1GAAHTTMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070130702-A1 Dyeing process using a specific compound containing active methylene and a compound chosen from a specific aldehyde, a specific ketone, a quinone and a diiminoisoindoline or 3-aminoisoindolone derivative L'OREAL S.A. 2007-06-14 US claimed
US-20070130702-A1 Dyeing process using a specific compound containing active methylene and a compound chosen from a specific aldehyde, a specific ketone, a quinone and a diiminoisoindoline or 3-aminoisoindolone derivative L'OREAL S.A. 2007-06-14 US disclosed
US-7204857-B1 Dyeing method using a specific active methylene compound and a compound selected among a specific aldehyde, a specific ketone, a quinone and a di-imino-isoindoline or 3-amino-isoindolone derivative L'OREAL S.A. (FR) 2007-04-17 US disclosed
US-20050262647-A1 Agent for dyeing fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2005-12-01 US disclosed
EP-1056433-B1 DYEING METHOD USING A SPECIFIC ACTIVE METHYLENE COMPOUND AND A COMPOUND SELECTED AMONG A SPECIFIC ALDEHYDE, A SPECIFIC KETONE, A QUINONE AND A DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVE OREAL (FR) 2005-05-11 EP disclosed
EP-1056433-A1 DYEING METHOD USING A SPECIFIC ACTIVE METHYLENE COMPOUND AND A COMPOUND SELECTED AMONG A SPECIFIC ALDEHYDE, A SPECIFIC KETONE, A QUINONE AND A DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVE L'OREAL (FR) 2000-12-06 EP disclosed
WO-2000038638-A1 DYEING METHOD USING A SPECIFIC ACTIVE METHYLENE COMPOUND AND A COMPOUND SELECTED AMONG A SPECIFIC ALDEHYDE, A SPECIFIC KETONE, A QUINONE AND A DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVE L'OREAL (FR) 2000-07-06 WO disclosed
US-4645838-A Pyrazolopyridine compounds, and intermediates, useful as anxiolytic agents ICI AMERICAS INC. (US) 1987-02-24 US disclosed
EP-0094175-B1 PYRAZOLOPYRIDINE COMPOUNDS ICI AMERICAS INC. (US) 1986-10-29 EP disclosed
US-4563525-A Process for preparing pyrazolopyridine compounds ICI AMERICAS INC. (US) 1986-01-07 US disclosed
US-4552883-A CNS DEPRESSANTS, ANXIOLYTICS ICI AMERICAS INC. (US) 1985-11-12 US disclosed
US-4511568-A CNS-Depressant pyrazolopyridines ICI AMERICAS INC. (US) 1985-04-16 US disclosed
EP-0096995-A2 Pyrazolopyridine compounds ICI AMERICAS INC. (US) 1983-12-28 EP disclosed
EP-0094175-A1 Pyrazolopyridine compounds ICI AMERICAS INC. (US) 1983-11-16 EP disclosed
US-4375467-A 5-(Pyridinyl)-1H-pyrazolo[3,4-b] pyridines and their cardiotonic use STERLING DRUG INC. (US) 1983-03-01 US disclosed
US-4246410-A BENZINDOLE DYES OF YELLOW AND RED CIBA -GEIGY AKTIENGESELLSCHAFT (CH) 1981-01-20 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-20070130702-A1 Dyeing process using a specific compound containing active methylene and a compound chosen from a specific aldehyde, a specific ketone, a quinone and a diiminoisoindoline or 3-aminoisoindolone derivative KRT18, NDUFB5, NDUFB7 KDM4E 440/4885ALDH1A1 83/4885PKM 196/4885
US-20050262647-A1 Agent for dyeing fibers containing keratin KRT18, CKAP4, KRTCAP2 KDM4E 1076/4885ALDH1A1 240/4885PKM 1560/4885

“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.