SCHEMBL3022661

SCHEMBL3022661

COc1ccc(CN(c2ccccc2)c2cc(Cl)nn3c(C(=O)Nc4ccncc4)cnc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.42
▸ TYK2 P29597 2/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ NR3C1 P04150 4/20 0.41
▸ RAB9A P51151 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ MAPT P10636 2/20 0.38

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
SCHEMBL3717107 0.92 NR3C1 (0.39) DHODHNR3C1KMT2AMEN1ALDH1A1
SCHEMBL3730213 0.87 TYK2 (0.40) DHODHTYK2JAK2NR3C1BCHE
SCHEMBL3017547 0.86 BCL2A1 (0.40) NR3C1RAB9AKMT2ANPC1MEN1
SCHEMBL3021969 0.85 BCL2A1 (0.39) TYK2NR3C1RAB9AKMT2ANPC1
SCHEMBL16515648 0.83 HAVCR2 (0.40) KMT2ANPC1MEN1ALDH1A1CYP1A2
SCHEMBL3664306 0.82 MAPT (0.38) DHODHNR3C1RAB9AKMT2ANPC1
SCHEMBL3720248 0.81 NOD2 (0.36) DHODHRAB9AKMT2APOLBNPC1
SCHEMBL3006554 0.79 KDM4E (0.37) RAB9AKMT2ANPC1MEN1ALDH1A1
SCHEMBL3006550 0.79 KDM4E (0.37) RAB9AKMT2ANPC1MEN1ALDH1A1
SCHEMBL3025027 0.78 PDE1B (0.37) NR3C1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-08-12 — — US disclosed
US-7723336-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-25 — — US disclosed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — 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 (2 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-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 DHODH 3187/4885TYK2 522/4885JAK2 201/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 DHODH 3882/4885TYK2 461/4885JAK2 212/4885

“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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