SCHEMBL18170911

SCHEMBL18170911

O=C(Nc1ccc(-c2cccnc2)c2c1C(=O)NC2)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.62
ABCB1 P08183 2/20 0.53
F2 P00734 1/20 0.47
F12 P00748 1/20 0.47
NAMPT P43490 3/20 0.46
HDAC1 Q13547 3/20 0.46
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
HDAC3 O15379 2/20 0.45
HDAC2 Q92769 2/20 0.45
CDK7 P50613 1/20 0.43
AAK1 Q2M2I8 1/20 0.43
KDM4D Q6B0I6 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
PRKD3 O94806 1/20 0.43
ABL1 P00519 1/20 0.43
PRKCG P05129 1/20 0.43
PRKCB P05771 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
Hydrochloric Acid SCHEMBL18170594 0.99 KDR (0.61) KDRABCB1F2F12NAMPT
SCHEMBL18170979 0.94 KDR (0.69) KDRABCB1HDAC1LMNAHDAC3
SCHEMBL18170846 0.91 KDR (0.60) KDRABCB1F2F12NAMPT
SCHEMBL18171025 0.91 KDR (0.69) KDRHDAC1HDAC2CASP3
SCHEMBL18170779 0.89 KDR (0.62) KDRHDAC1RAB9ACASP3
SCHEMBL18170725 0.89 KDR (0.64) KDRF2F12HDAC1HDAC2
Hydrochloric Acid SCHEMBL18170518 0.88 KDR (0.63) KDRF2F12HDAC1HDAC2
SCHEMBL18170504 0.85 KDR (0.58) KDRCASP3
SCHEMBL18170902 0.84 KDR (0.59) KDRABCB1HDAC1CASP3
SCHEMBL18170827 0.83 KDR (0.59) KDRHDAC1AAK1CASP3

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 7 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-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
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 1662/4885ABCB1 3045/4885F2 4601/4885

“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.