SCHEMBL4902783

SCHEMBL4902783

COc1ccc(-c2cc(-c3ccccc3)c3c(n2)sc2c(N)ncnc23)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.64
▸ NR2E3 Q9Y5X4 2/20 0.64
▸ NCOR2 Q9Y618 2/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ LIMK1 P53667 8/20 0.59
▸ CLK1 P49759 3/20 0.54
▸ ACHE P22303 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ MCL1 Q07820 1/20 0.47
▸ ACACA Q13085 1/20 0.46
▸ CDC7 O00311 3/20 0.46
▸ DBF4 Q9UBU7 3/20 0.46
▸ KDR P35968 2/20 0.46
▸ PLK4 O00444 1/20 0.46
▸ IKBKB O14920 1/20 0.46
▸ AURKA O14965 1/20 0.46
▸ CHUK O15111 1/20 0.46
▸ ROCK2 O75116 1/20 0.46
▸ FYN P06241 1/20 0.46

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
SCHEMBL4899938 0.90 LIMK1 (0.66) PPARGNR2E3NCOR2KMT2ALIMK1
SCHEMBL4899880 0.88 KDM4E (0.62) PPARGNR2E3NCOR2KMT2ALIMK1
SCHEMBL4900157 0.86 HPGD (0.62) PPARGNR2E3NCOR2KMT2ALIMK1
SCHEMBL4900523 0.83 MAPT (0.60) PPARGNR2E3NCOR2KMT2ALIMK1
SCHEMBL4899965 0.82 CDC7 (0.58) PPARGNR2E3NCOR2KMT2ALIMK1
SCHEMBL4905558 0.81 CDC7 (0.66) LIMK1CLK1KDM4ECDC7DBF4
SCHEMBL259291 0.81 CDC7 (0.66) PPARGNR2E3NCOR2KMT2ALIMK1
SCHEMBL4894356 0.78 HPGD (0.58) KMT2ALIMK1CLK1KDM4EPOLB
SCHEMBL4899003 0.77 MEN1 (0.59) KMT2ALIMK1CLK1KDM4EPOLB
SCHEMBL4899997 0.77 MAPT (0.50) KMT2ALIMK1ACHEKDM4EPOLB

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
US-20080008720-A1 Substituted Tricyclic Heterocycles and their Uses CYWIN CHARLES L 2008-01-10 — — US disclosed
US-7291733-B2 Substituted tricyclic heterocycles and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-11-06 — — US disclosed
EP-1673374-A2 SUBSTITUTED TRICYCLIC HETEROCYCLES AND THEIR USES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-06-28 — — EP disclosed
US-20050101601-A1 Substituted tricyclic heterocycles and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-05-12 — — US disclosed
WO-2005035537-A2 SUBSTITUTED TRICYCLIC HETEROCYCLES AND THEIR USES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-04-21 — — 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 (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-20050101601-A1 Substituted tricyclic heterocycles and their uses LTC4S, NQO1, CBR3 PPARG 550/4885NR2E3 1485/4885NCOR2 522/4885
US-20080008720-A1 Substituted Tricyclic Heterocycles and their Uses LTC4S, NQO1, CBR3 PPARG 550/4885NR2E3 1485/4885NCOR2 522/4885

“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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