SCHEMBL18170846

SCHEMBL18170846

O=C(Nc1ccc(-c2cncnc2)c2c1C(=O)NC2)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.60
BCAT2 O15382 1/20 0.45
CASP3 P42574 1/20 0.43
ABCB1 P08183 1/20 0.42
MEN1 O00255 1/20 0.41
MMP14 P50281 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4D Q6B0I6 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
AURKA O14965 1/20 0.41
TTK P33981 1/20 0.41
ITK Q08881 1/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL18170911 0.91 KDR (0.62) KDRCASP3ABCB1KDM4DKDM4C
Hydrochloric Acid SCHEMBL18170594 0.90 KDR (0.61) KDRCASP3ABCB1KDM4DKDM4C
SCHEMBL18170725 0.89 KDR (0.64) KDRCASP3MEN1MMP14KMT2A
SCHEMBL18171025 0.88 KDR (0.69) KDRCASP3MEN1MMP14KMT2A
Hydrochloric Acid SCHEMBL18170518 0.88 KDR (0.63) KDRCASP3MEN1MMP14KMT2A
SCHEMBL18170779 0.86 KDR (0.62) KDRCASP3KMT2AAURKATTK
SCHEMBL18170979 0.86 KDR (0.69) KDRABCB1HDAC2
SCHEMBL18170504 0.85 KDR (0.58) KDRCASP3MEN1MMP14KMT2A
SCHEMBL18170902 0.84 KDR (0.59) KDRCASP3ABCB1MEN1MMP14
SCHEMBL18170598 0.83 KDR (0.66) KDRCASP3MEN1MMP14KMT2A

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 1662/4885BCAT2 3960/4885CASP3 2056/4885

“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.