SCHEMBL3343979

SCHEMBL3343979

CC(=O)NC[C@@H](N)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.42
HDAC6 Q9UBN7 3/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
HTT P42858 1/20 0.41
DPP4 P27487 2/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL3343976 1.00 TSHR (0.43) TSHRKMT2ANPC1HDAC6HDAC3
SCHEMBL4065435 0.84 HDAC3 (0.42) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL15663752 0.84 HDAC3 (0.42) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL4065437 0.84 HDAC3 (0.42) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL14872984 0.83 DPP4 (0.45) TSHRHDAC6HDAC3HDAC4HDAC1
SCHEMBL390578 0.83 ADRB2 (0.47) TSHRKMT2ANPC1HDAC4HDAC7
SCHEMBL4986629 0.82 MTNR1A (0.58) NPC1MTNR1AMTNR1B
SCHEMBL23632171 0.79 NPC1 (0.46) KMT2ANPC1MTNR1AMTNR1B
SCHEMBL28763012 0.79 CTSS (0.44) KMT2ADPP4POLB
SCHEMBL970153 0.79 CTSS (0.44) KMT2ADPP4POLB

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-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA R&D (SE) 2010-06-17 US disclosed
EP-1686999-B1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2009-07-01 EP disclosed
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases ASTRAZENECA AB (SE) 2007-06-21 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-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES LTK, ERBB2, ERBB3 TSHR 367/4885KMT2A 3290/4885NPC1 4756/4885
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases PRKDC, MUSK, LTK TSHR 351/4885KMT2A 3119/4885NPC1 4829/4885

“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.