SCHEMBL474962

SCHEMBL474962

CNc1nc(N)c(N)c(N)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.37
KMT2A Q03164 1/20 0.34
CYP2C19 P33261 2/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.33
PDE4A P27815 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
CA14 Q9ULX7 1/20 0.31
MAPT P10636 2/20 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
SCHEMBL9643033 0.85 KMT2A (0.37) NOS1KMT2ATDP1LMNAHPGD
SCHEMBL2773009 0.80 NOS1 (0.36) NOS1KMT2ACYP2C19GAACYP1A2
SCHEMBL11701544 0.79 P2RX3 (0.34) NOS1ALDH1A1P2RX3P2RX2
SCHEMBL10485127 0.79 NUDT1 (0.32) NOS1PDE4A
SCHEMBL7591874 0.77 PDPK1 (0.34) NOS1TDP1LMNAHPGD
SCHEMBL24655832 0.74 ALDH1A1 (0.33) CYP2C19GAACYP1A2PDE4ATDP1
SCHEMBL10485343 0.74 TRIM58 (0.36) KMT2ACYP2C19GAACYP1A2PDE4A
SCHEMBL2372149 0.74 LMNA (0.34) NOS1KMT2ALMNATERT
SCHEMBL16461847 0.73
SCHEMBL33146 0.73 PDE4A (0.48) CYP2C19GAACYP1A2PDE4ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 EP claimed
EP-1747046-B1 USE OF SPECIALLY FORMYLATED QUINOLINIUM DERIVATIVES IN COMBINATION WITH AMINO-SUBSTITUTED PYRIMIDINE DERIVATIVES AND AT LEAST ONE ADDITIONAL PRIMARY OR SECONDARY, AROMATIC AMINE HENKEL AG & CO KGAA (DE) 2008-09-24 EP claimed
EP-1432388-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2008-06-18 EP claimed
US-7300472-B2 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-11-27 US claimed
EP-1778176-A2 MEANS FOR COLOURING KERATIN-CONTAINING FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2007-05-02 EP claimed
EP-1200049-B1 AGENT FOR DYING KERATIN FIBERS HENKEL KGAA (DE) 2007-02-21 EP claimed
EP-1747046-A1 USE OF SPECIALLY FORMYLATED QUINOLINIUM DERIVATIVES IN COMBINATION WITH AMINO-SUBSTITUTED PYRIMIDINE DERIVATIVES AND AT LEAST ONE ADDITIONAL PRIMARY OR SECONDARY, AROMATIC AMINE Henkel Kommanditgesellschaft auf Aktien (DE) 2007-01-31 EP claimed
US-20070000074-A1 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2007-01-04 US claimed
EP-1534227-B1 AGENTS USED FOR DYEING KERATINOUS FIBERS HENKEL KGAA (DE) 2006-12-27 EP claimed
EP-1311231-B1 AGENT FOR COLOURING KERATIN-CONTAINING FIBRES COMPRISING AT LEAST ONE OXOCYCLOPENTENE DERIVATIVE HENKEL KGAA (DE) 2006-11-22 EP claimed
WO-1998047472-A1 THE USE OF 1-SUBSTITUTED ISATINS TO DYE FIBERS CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1998-10-29 WO claimed
EP-0873743-A2 Use of benzylidene-ketones for dyeing keratinous fibers Henkel Kommanditgesellschaft auf Aktien (DE) 1998-10-28 EP claimed
EP-0873744-A2 Use of heterocyclic carbonyl compounds for dying keratinous fibers Henkel Kommanditgesellschaft auf Aktien (DE) 1998-10-28 EP claimed
EP-0873746-A2 Dyestuff for keratinous fibers Henkel Kommanditgesellschaft auf Aktien (DE) 1998-10-28 EP claimed
US-4900325-A AMINODIPHENYLAMINE COUPLERS, TETRAAMINOPYRIMIDINE DEVELOPERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-02-13 US claimed
US-RE30199-E Oxidation hair dyes based upon tetraaminopyrimidine developers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 1980-01-29 US claimed
US-4168953-A Oxidation hair dyes based upon tetraaminopyrimidine developers and monohydroxyindazole couplers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 1979-09-25 US claimed
US-4129414-A Oxidation hair colorants containing water-soluble polyhalogen 3-aminophenols as couplers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 1978-12-12 US claimed
US-4129413-A Oxidation hair dyes based upon tetraaminopyrimidine developers and mono- and dialkyl -m- dihydroxy benzene couplers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 1978-12-12 US claimed
US-4003699-A Oxidation hair dyes based upon tetraaminopyrimidine developers HENKEL & CIE G.M.B.H. (DT) 1977-01-18 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20070000074-A1 Agents for coloring fibers containing keratin KRT18, COL1A1, CYC1 NOS1 2333/4885KMT2A 1075/4885CYP2C19 3442/4885

“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.