SCHEMBL6775760

SCHEMBL6775760

Nc1cc(-c2cccnc2)ccc1-c1nnn[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
PSIP1 O75475 1/20 0.45
AXL P30530 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
AURKA O14965 2/20 0.45
AURKB Q96GD4 2/20 0.45
TTK P33981 1/20 0.45
INCENP Q9NQS7 1/20 0.45
FGFR1 P11362 2/20 0.43
CYP11B1 P15538 10/20 0.41
CYP11B2 P19099 10/20 0.41
CYP19A1 P11511 2/20 0.41
CYP17A1 P05093 1/20 0.41
CYP1A2 P05177 5/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2A6 P11509 1/20 0.41
TDP2 O95551 1/20 0.40
CHEK1 O14757 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
SCHEMBL21856971 0.84 KDM4E (0.42) MEN1AURKAAURKBTTKINCENP
SCHEMBL333251 0.77 CYP2A6 (0.52) CYP1A2ALDH1A1CYP3A4CYP2A6LRRK2
SCHEMBL30147381 0.77 CYP2A6 (0.52) CYP1A2ALDH1A1CYP3A4CYP2A6LRRK2
SCHEMBL6775625 0.74 MAPT (0.50) MEN1ALDH1A1TDP2PIK3CDPIK3CA
SCHEMBL6777111 0.74 KCNH2 (0.51) CYP2A6CHEK1
SCHEMBL6781482 0.74 CHEK1 (0.40) CYP1A2ALDH1A1CYP3A4CHEK1FYN
SCHEMBL6777326 0.74 KIF11 (0.44) MKNK1MKNK2TDP2MAP4K4
SCHEMBL3594723 0.74 CDC7 (0.42) CYP1A2ALDH1A1CYP3A4CYP2A6PDGFRB
SCHEMBL6771385 0.73 MKNK1 (0.44) MKNK1MKNK2MAP4K4FYNPTK2
SCHEMBL13404775 0.73 JAK2 (0.41) MEN1FGFR1ALDH1A1CYP3A4JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6696475-B2 N-PHENYL-N'-(2-CARBOXYPHENYL) UREA, FOR EXAMPLE; CHLORIDE CHANNEL BLOCKERS; SUCH AS FOR TREATING BONE METABOLIC DISORDERS NEUROSEARCH A/S (DK) 2004-02-24 US disclosed
EP-0977741-B1 SUBSTITUTED PHENYL DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2003-09-03 EP disclosed
US-20020037905-A1 Substituted phenyl derivatives, their preparation and use ANIONA APS (DK) 2002-03-28 US disclosed
US-6297261-B1 POTENT CHLORIDE CHANNEL BLOCKERS; TREATMENT OF SICKLE CELL ANEMIA, BRAIN EDEMA FOLLOWING ISCHAEMIA OR TUMORS, DIARRHEA, HYPERTENSION (DIURETIC), OSTEOPOROSIS, AND FOR THE REDUCTION OF THE INTRAOCULAR PRESSURE NEUROSEARCH A/S (DK) 2001-10-02 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 (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-20020037905-A1 Substituted phenyl derivatives, their preparation and use KCNB1, KCNH2, KCNJ2 MEN1 2384/4885PSIP1 1227/4885AXL 4085/4885

“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.