SCHEMBL11922277

SCHEMBL11922277

Cc1cnc(Cl)c(C(=O)Nc2cc(F)ccc2N)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.52
▸ HDAC1 Q13547 7/20 0.48
▸ HDAC2 Q92769 7/20 0.44
▸ HDAC3 O15379 7/20 0.43
▸ FADS1 O60427 1/20 0.43
▸ CHRNA7 P36544 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NCOR1 O75376 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ KCNH2 Q12809 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
SCHEMBL1584992 0.83 GAA (0.46) HDAC1HDAC2HDAC3FADS1RAB9A
SCHEMBL24972973 0.72 HDAC1 (0.53) HDAC1HDAC2HDAC3NCOR1KCNH2
SCHEMBL23992177 0.72 HDAC1 (0.62) HDAC1HDAC2HDAC3NCOR1
SCHEMBL24972888 0.72 HDAC1 (0.55) HDAC1HDAC2HDAC3NCOR1KCNH2
SCHEMBL1283839 0.71 MAPT (0.55) HDAC1HDAC2FADS1
SCHEMBL13050490 0.71 KMT2A (0.57) HDAC2NPC1RAB9ALMNA
SCHEMBL2131564 0.70 HDAC1 (0.55) HDAC1HDAC2HDAC3
SCHEMBL4971162 0.70 RAB9A (0.51) KDRNPC1RAB9ALMNA
SCHEMBL4484518 0.70 RXFP1 (0.57) NPC1RAB9A
SCHEMBL25161867 0.70 HDAC2 (0.44) HDAC1HDAC2HDAC3KCNH2

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-10030016-B2 Heterocyclic compounds useful as PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-07-24 — — US disclosed
US-9546165-B2 Heterocyclic compounds useful as PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2017-01-17 — — US disclosed
US-20160331756-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2016-11-17 — — US disclosed
US-20120208819-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2012-08-16 — — 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 (3 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-20120208819-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 KDR 1681/4885HDAC1 203/4885HDAC2 461/4885
US-10030016-B2 Heterocyclic compounds useful as PDK1 inhibitors PDK1, PDK2, PDK3 KDR 1681/4885HDAC1 203/4885HDAC2 461/4885
US-20160331756-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 KDR 1681/4885HDAC1 203/4885HDAC2 461/4885

“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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