SCHEMBL18170741

SCHEMBL18170741

O=C(Nc1ccc(-c2ccccc2)c2c1C(=O)NC2)c1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.53
CASP3 P42574 3/20 0.51
CYP1A2 P05177 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.46
CLK1 P49759 1/20 0.46
CLK2 P49760 1/20 0.46
CLK3 P49761 1/20 0.46
PKM P14618 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMO Q99835 4/20 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
SCHEMBL18170671 0.89 KDR (0.52) KDRCYP1A2CYP2C19RAB9ACLK1
SCHEMBL18170746 0.88 KDR (0.58) KDRCASP3HPGDCYP2C19CLK1
SCHEMBL18170477 0.86 KDR (0.56) KDRCASP3RAB9ACLK1CLK2
SCHEMBL18170481 0.86 KDR (0.53) KDRRAB9AALDH1A1MAPTMEN1
SCHEMBL18170808 0.86 KDR (0.58) KDRHPGDALDH1A1MAPTMEN1
SCHEMBL18171025 0.84 KDR (0.69) KDRCASP3CYP1A2CLK1CLK2
SCHEMBL18170459 0.84 KDR (0.61) KDRRAB9ACLK1CLK2CLK3
SCHEMBL18170654 0.84 CASP3 (0.54) KDRCASP3HPGDRAB9AALDH1A1
SCHEMBL18170444 0.84 KDR (0.53) KDRHPGDRAB9APKMALDH1A1
SCHEMBL18170820 0.84 KDR (0.58) KDRCLK1CLK2CLK3ALDH1A1

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 1662/4885CASP3 2056/4885CYP1A2 3442/4885

“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.