SCHEMBL3352189

SCHEMBL3352189

COc1ccn2c(-c3ccnc(C4(c5ccc(C(=O)NO)cc5)CC4)n3)c(C(F)(F)F)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.37
AKT1 P31749 3/20 0.36
AKT2 P31751 3/20 0.36
HDAC1 Q13547 7/20 0.35
HDAC6 Q9UBN7 6/20 0.35
KDM1A O60341 3/20 0.35
INSR P06213 1/20 0.35
F10 P00742 2/20 0.35
HDAC2 Q92769 5/20 0.34
HDAC3 O15379 3/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL658869 0.89 HDAC1 (0.36) IGF1RAKT1AKT2HDAC1HDAC6
SCHEMBL3352924 0.88 HDAC1 (0.42) IGF1RHDAC1HDAC6INSRHDAC2
SCHEMBL658594 0.87 HDAC6 (0.34) HDAC1HDAC6KDM1AHDAC2HDAC3
SCHEMBL3354974 0.85 HDAC1 (0.37) AKT1AKT2HDAC1HDAC6HDAC2
SCHEMBL3357617 0.82 CCNE1 (0.40) AKT1AKT2HDAC1HDAC6KDM1A
SCHEMBL701224 0.82 IGF1R (0.47) IGF1RHDAC1HDAC6INSRHDAC2
SCHEMBL3357009 0.82 HDAC1 (0.38) AKT1AKT2HDAC1HDAC6HDAC2
SCHEMBL658275 0.82 AKT1 (0.36) IGF1RAKT1AKT2HDAC1KDR
SCHEMBL197875 0.80 F2RL3 (0.39) AKT1AKT2HDAC1HDAC6HDAC2
SCHEMBL3356590 0.79 AKT1 (0.42) AKT1AKT2HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US claimed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 US claimed

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-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 IGF1R 1912/4885AKT1 1338/4885AKT2 981/4885

“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.