SCHEMBL10061663

SCHEMBL10061663

C=C1C(=O)Nc2ccc(C(=O)O)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLK2 Q86UE8 3/20 0.51
PDPK1 O15530 1/20 0.51
JAK3 P52333 1/20 0.51
TDP2 O95551 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
KDR P35968 4/20 0.45
PDGFRB P09619 3/20 0.45
FGFR1 P11362 3/20 0.45
SRC P12931 1/20 0.45
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
CDK2 P24941 2/20 0.43
PIM1 P11309 2/20 0.43
TTR P02766 1/20 0.43
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL29631093 0.82 SMYD3 (0.56) TLK2PDPK1JAK3TDP2TTR
SCHEMBL1050601 0.82 SMYD3 (0.56) TLK2PDPK1JAK3TDP2TTR
SCHEMBL10061665 0.81 FCER2 (0.44) TLK2PDPK1SMYD3FCER2SYK
SCHEMBL10061664 0.81 PDPK1 (0.55) PDPK1KMT2AMEN1PIM1CA12
SCHEMBL13712805 0.77 SMYD3 (0.45) KMT2AMEN1SMYD3
SCHEMBL14446978 0.76 PAK4 (0.58) KDRPDGFRBSMYD3POLB
SCHEMBL13712819 0.74 HPGD (0.54) KMT2APOLB
SCHEMBL13081085 0.73 TGM2 (0.67) KMT2AMEN1
SCHEMBL10061666 0.73 ROS1 (0.61) PDPK1KMT2AMEN1PDGFRBCA2
SCHEMBL20682550 0.73 TGM2 (0.67) TDP2KMT2AMEN1PIM1POLB

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-8207179-B2 Substituted indolines as tyrosine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-20100222331-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 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-20100222331-A1 NEW COMPOUNDS CCNA1, CCNY, MKI67 TLK2 3770/4885PDPK1 1543/4885JAK3 1349/4885

“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.