SCHEMBL18170619

SCHEMBL18170619

O=C(Nc1ccc(-c2ccc3ncccc3c2)c2c1C(=O)NC2)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.49
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
PABPC1 P11940 1/20 0.41
CASP3 P42574 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
MMP9 P14780 1/20 0.40
MRGPRX1 Q96LB2 1/20 0.39
FLT3 P36888 1/20 0.39
PLK1 P53350 1/20 0.39
AR P10275 1/20 0.39
DYRK1A Q13627 2/20 0.39
WNT1 P04628 1/20 0.39
CLK1 P49759 1/20 0.38
GSK3B P49841 1/20 0.38

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
SCHEMBL18170501 0.84 KDR (0.46) KDRNPC1RAB9APOLBPABPC1
SCHEMBL18170449 0.81 CYP1A2 (0.47) KDRHDAC1NPC1RAB9APABPC1
SCHEMBL18170664 0.81 KDR (0.61) KDRHDAC1HDAC2NPC1RAB9A
SCHEMBL18170598 0.81 KDR (0.66) KDRHDAC1HDAC2NPC1RAB9A
SCHEMBL18170620 0.79 KDR (0.45) KDRNPC1RAB9APABPC1CASP3
SCHEMBL18170800 0.77 KDR (0.54) KDRNPC1RAB9ACASP3
SCHEMBL18170771 0.77 KDR (0.61) KDRHDAC1HDAC2CASP3FLT3
SCHEMBL18170609 0.77 KDR (0.63) KDRHDAC1NPC1RAB9ACASP3
SCHEMBL18170453 0.77 KDR (0.63) KDRHDAC1NPC1RAB9APOLB
SCHEMBL18170976 0.76 KDR (0.62) KDRHDAC1HDAC2CASP3

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 1662/4885HDAC1 2587/4885HDAC2 2231/4885

“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.