SCHEMBL18170949

SCHEMBL18170949

Cc1ccc(Nc2ccc(NC(=O)c3ccccc3)c3c2CNC3=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.61
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP1A2 P05177 1/20 0.48
TSHR P16473 1/20 0.48
AURKA O14965 5/20 0.45
AURKB Q96GD4 2/20 0.45
KCNMA1 Q12791 1/20 0.45
CASP3 P42574 2/20 0.44
PTGS2 P35354 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
MAPK13 O15264 1/20 0.41
CHEK2 O96017 1/20 0.41
NTRK1 P04629 1/20 0.41
RET P07949 1/20 0.41
HCK P08631 1/20 0.41
FGFR1 P11362 1/20 0.41
FLT4 P35916 1/20 0.41

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
SCHEMBL18170542 0.95 KDR (0.58) KDRNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL18170485 0.92 KDR (0.58) KDRCYP1A2TSHRAURKAAURKB
SCHEMBL18170560 0.89 KDR (0.69) KDRMAPTCYP1A2TSHRAURKA
SCHEMBL18170549 0.89 KDR (0.53) KDRNPC1RAB9ACYP1A2TSHR
SCHEMBL18170578 0.88 NPC1 (0.53) KDRNPC1RAB9AMAPTCYP1A2
SCHEMBL18170782 0.87 KDR (0.56) KDRMAPTCYP1A2TSHRAURKA
SCHEMBL18170765 0.85 POLB (0.55) KDRMAPTCYP1A2TSHRKCNMA1
SCHEMBL18170461 0.84 MEN1 (0.52) KDRNPC1RAB9ACYP1A2TSHR
SCHEMBL18171021 0.84 KDR (0.75) KDRNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL18170574 0.84 F10 (0.51) KDRNPC1RAB9ASMN1; SMN2ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856216-B2 Compounds as TNIK, IKKε and TBK1 inhibitors and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2018-01-02 US claimed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 US claimed
US-9856216-B2 Compounds as TNIK, IKKε and TBK1 inhibitors and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2018-01-02 US disclosed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 US disclosed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 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-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TNIK, TNK1, NFKBIA KDR 1662/4885NPC1 2005/4885RAB9A 2823/4885

“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.