SCHEMBL18170963

SCHEMBL18170963

O=C(Nc1ccc(Nc2cccc(F)c2)c2c1C(=O)NC2)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.55
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
HPGD P15428 1/20 0.53
CYP1A2 P05177 1/20 0.48
TSHR P16473 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KCNK3 O14649 2/20 0.48
HDAC1 Q13547 1/20 0.44
KCNK9 Q9NPC2 1/20 0.43
MAPK14 Q16539 3/20 0.42
CASP3 P42574 1/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
CA12 O43570 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
SCHEMBL18170758 0.94 MEN1 (0.55) KDRNPC1RAB9AHPGDCYP1A2
SCHEMBL18170485 0.89 KDR (0.58) KDRCYP1A2TSHRMEN1KMT2A
SCHEMBL18170560 0.88 KDR (0.69) KDRHPGDCYP1A2TSHRMEN1
SCHEMBL18170461 0.88 MEN1 (0.52) KDRNPC1RAB9ACYP1A2TSHR
SCHEMBL18170549 0.88 KDR (0.53) KDRNPC1RAB9ACYP1A2TSHR
SCHEMBL18170633 0.85 NPC1 (0.56) KDRNPC1RAB9ACYP1A2TSHR
SCHEMBL18170762 0.85 KDR (0.47) KDRNPC1RAB9AMEN1KMT2A
SCHEMBL18170453 0.83 KDR (0.63) KDRNPC1RAB9AHPGDCYP1A2
SCHEMBL18170709 0.82 RAB9A (0.50) KDRNPC1RAB9ACYP1A2TSHR
SCHEMBL18170949 0.81 KDR (0.61) KDRNPC1RAB9ACYP1A2TSHR

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.