SCHEMBL2858936

SCHEMBL2858936

CC(=O)Nc1nc2ccc(Oc3ccc(Cl)c(N)c3)nc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 10/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ BRAF P15056 2/20 0.46
▸ FSCN1 Q16658 1/20 0.46
▸ KDR P35968 3/20 0.43
▸ CLK1 P49759 1/20 0.43
▸ PDGFRB P09619 1/20 0.42
▸ KIT P10721 1/20 0.42
▸ FLT1 P17948 1/20 0.42
▸ PIK3CA P42336 3/20 0.41
▸ PIK3CG P48736 2/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.41
▸ CYP2C9 P11712 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
SCHEMBL2855636 0.87 BRAF (0.54) DYRK1ANPC1RAB9ACYP3A4SMN1; SMN2
SCHEMBL2454813 0.87 BRAF (0.59) NPC1RAB9ASMN1; SMN2BRAFKDR
SCHEMBL2861220 0.82 BRAF (0.50) DYRK1ANPC1RAB9ACYP3A4SMN1; SMN2
SCHEMBL2859799 0.81 ROCK2 (0.44) DYRK1ANPC1RAB9ACYP3A4SMN1; SMN2
SCHEMBL13185067 0.78 BRAF (0.45) CYP3A4CYP1A2CYP2C19BRAFKDR
SCHEMBL13185043 0.78 KDR (0.49) DYRK1ANPC1RAB9ACYP3A4SMN1; SMN2
SCHEMBL2851409 0.77 BRAF (0.62) DYRK1ANPC1RAB9ACYP3A4SMN1; SMN2
SCHEMBL2856446 0.77 DYRK1A (0.46) DYRK1ANPC1RAB9ACYP3A4SMN1; SMN2
SCHEMBL13185010 0.77 BRAF (0.54) DYRK1ANPC1RAB9ASMN1; SMN2BRAF
SCHEMBL13184952 0.77 KDR (0.47) DYRK1ANPC1RAB9ACYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654247-B1 ALKYNYL ARYL CARBOXAMIDES MERCK SERONO SA (CH) 2010-01-20 — — EP claimed
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 — — EP disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 — — US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 — — US disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 — — 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 (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-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 DYRK1A 2109/4885NPC1 3266/4885RAB9A 383/4885

“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.

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