SCHEMBL2570966

SCHEMBL2570966

CC(C)(C)c1nc(-c2ccc(Cl)c(Cl)c2)c[nH]1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ AHR P35869 2/20 0.42
▸ KMO O15229 6/20 0.41
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ BRAF P15056 1/20 0.38
▸ ABL1 P00519 2/20 0.38
▸ NOTUM Q6P988 1/20 0.38
▸ CYP1B1 Q16678 1/20 0.37
▸ NPY5R Q15761 1/20 0.37
▸ KIF20B Q96Q89 1/20 0.37
▸ IKBKB O14920 2/20 0.36

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
SCHEMBL9006013 0.83 KIF20B (0.46) NPC1RAB9AAHRKMOLMNA
SCHEMBL2571573 0.79 PDGFRB (0.35) KMOBRAF
SCHEMBL2568480 0.78 IDO1 (0.44) RAB9A
SCHEMBL17066287 0.77 NPC1 (0.46) NPC1RAB9AHPGDNOTUM
SCHEMBL14421616 0.77 KMT2A (0.41) NPC1RAB9ALMNAHPGDNOTUM
SCHEMBL19627018 0.77 AHR (0.46) NPC1RAB9AAHRKMOLMNA
SCHEMBL2617474 0.76 NPC1 (0.40) NPC1RAB9ALMNA
SCHEMBL14531238 0.76 ADORA3 (0.33) NPC1RAB9A
SCHEMBL17066286 0.76 KIF11 (0.46) NPC1RAB9AHPGDNOTUM
SCHEMBL14417664 0.76 METAP2 (0.38) NPC1RAB9ABRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10472360-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-11-12 — — US disclosed
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 — — US disclosed
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 — — US disclosed
US-20120289502-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-11-15 — — US disclosed
US-8273738-B2 Imidazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-09-25 — — US disclosed
EP-2090570-B1 IMIDAZOLE DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2011-11-09 — — EP disclosed
US-20100152178-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-17 — — US disclosed
EP-2090570-A1 IMIDAZOLE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-08-19 — — EP 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 (4 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-20120289502-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 NPC1 543/4885RAB9A 1616/4885AHR 225/4885
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 NPC1 2489/4885RAB9A 3162/4885AHR 14/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 NPC1 2489/4885RAB9A 3162/4885AHR 14/4885
US-20100152178-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 NPC1 543/4885RAB9A 1616/4885AHR 225/4885

“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