SCHEMBL4507342

SCHEMBL4507342

CC[C@@H](C)NC(=O)CCc1ccc(Oc2nc(Nc3ccc(C(=O)N(C)CCN(CC)CC)cc3)ncc2C(=O)Nc2c(F)cc(F)cc2F)c(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.36
HDAC2 Q92769 9/20 0.36
KMT2A Q03164 2/20 0.35
IGF1R P08069 4/20 0.35
LCK P06239 1/20 0.33
JAK3 P52333 1/20 0.33
BTK Q06187 1/20 0.33
TNK2 Q07912 1/20 0.33
CCNT1 O60563 2/20 0.33
CCNA2 P20248 2/20 0.33
CDK2 P24941 2/20 0.33
CDK9 P50750 2/20 0.33
CCNA1 P78396 1/20 0.33
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32

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
SCHEMBL4499161 0.91 CYP3A4 (0.39) HDAC1HDAC2KMT2AIGF1RLCK
SCHEMBL4496223 0.91 LCK (0.42) HDAC1HDAC2KMT2AIGF1RLCK
SCHEMBL4496017 0.86 LCK (0.43) HDAC1HDAC2KMT2AIGF1RLCK
SCHEMBL5686161 0.81 LCK (0.43) HDAC1HDAC2KMT2AIGF1RLCK
SCHEMBL4486856 0.81 LCK (0.46) HDAC1HDAC2KMT2AIGF1RLCK
SCHEMBL4495479 0.81 LCK (0.43) HDAC1HDAC2IGF1RLCKJAK3
SCHEMBL4495907 0.81 LCK (0.47) KMT2ALCKJAK3BTKTNK2
SCHEMBL5689051 0.80 KDR (0.37) HDAC1HDAC2LCKJAK3BTK
SCHEMBL4484530 0.80 LCK (0.43) HDAC1HDAC2IGF1RLCKJAK3
SCHEMBL4502146 0.79 LCK (0.47) LCKJAK3BTKTNK2ABL1

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-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US claimed
US-7504396-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 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 (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-20050209221-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 HDAC1 933/4885HDAC2 1173/4885KMT2A 2883/4885

“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.