SCHEMBL15037538

SCHEMBL15037538

CCCCCCOC1=C/C(=N/c2ccc(N(CCO)CCO)cc2)C(N)=CC1=N

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 1/20 0.32
▸ DAPK3 O43293 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ PRKCG P05129 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ AKT1 P31749 1/20 0.32
▸ AKT2 P31751 1/20 0.32
▸ MAPKAPK2 P49137 1/20 0.32
▸ BLK P51451 1/20 0.32
▸ RPS6KA3 P51812 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ LIMK1 P53667 1/20 0.32
▸ PRKCZ Q05513 1/20 0.32
▸ PRKCD Q05655 1/20 0.32
▸ PAK1 Q13153 1/20 0.32
▸ STK3 Q13188 1/20 0.32

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
SCHEMBL20853538 1.00 CHUK (0.32) CHUKDAPK3JAK2ROCK2PRKCG
SCHEMBL20853519 0.99 CYP1A2 (0.30) CHUKDAPK3JAK2ROCK2PRKCG
SCHEMBL16369064 0.99 CYP1A2 (0.30) CHUKDAPK3JAK2ROCK2PRKCG
SCHEMBL15018684 0.97 CYP1A2 (0.32) NPC1MAPTRAB9ACYP1A2CYP19A1
SCHEMBL15018604 0.97 CYP1A2 (0.32) NPC1MAPTRAB9ACYP1A2CYP19A1
SCHEMBL15018630 0.94 CYP2C9 (0.32) NPC1MAPTRAB9ACYP2C9
SCHEMBL16369058 0.94 CYP2C9 (0.32) NPC1MAPTRAB9ACYP2C9
SCHEMBL20863428 0.93 — —
SCHEMBL20853528 0.93 NPC1 (0.36) NPC1GAAMAPTRAB9ACYP1A2
SCHEMBL15037448 0.93 NPC1 (0.36) NPC1GAAMAPTRAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791250-B1 PARTICULAR AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH COMPOUND, IMPLEMENTATION PROCESS THEREFORE AND USE THEREOF OREAL (FR) 2019-04-03 — — EP claimed
EP-2791250-B1 PARTICULAR AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH COMPOUND, IMPLEMENTATION PROCESS THEREFORE AND USE THEREOF OREAL (FR) 2019-04-03 — — EP disclosed
US-9226883-B2 Particular azomethine direct dyes, dye composition comprising at least one such compound, implementation process therefore and use thereof L'OREAL (FR) 2016-01-05 — — US disclosed
US-9226883-B2 Particular azomethine direct dyes, dye composition comprising at least one such compound, implementation process therefore and use thereof L'OREAL (FR) 2016-01-05 — — US disclosed
US-20150000688-A1 PARTICULAR AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH COMPOUND, IMPLEMENTATION PROCESS THEREFORE AND USE THEREOF L'OREAL (FR) 2015-01-01 — — US disclosed
US-20150000688-A1 PARTICULAR AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH COMPOUND, IMPLEMENTATION PROCESS THEREFORE AND USE THEREOF L'OREAL (FR) 2015-01-01 — — US disclosed
WO-2013087636-A1 PARTICULAR AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH COMPOUND, IMPLEMENTATION PROCESS THEREFORE AND USE THEREOF L'OREAL (FR) 2013-06-20 — — WO 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 (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-20150000688-A1 PARTICULAR AZOMETHINE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH COMPOUND, IMPLEMENTATION PROCESS THEREFORE AND USE THEREOF KRT18, IK, MKI67 CHUK 3483/4885DAPK3 976/4885JAK2 4541/4885

“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.

Send feedback