SCHEMBL18170501

SCHEMBL18170501

O=C(Nc1ccc(-c2ccc3ncccc3c2)c2c1C(=O)NC2)c1ccc(NCCN2CCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.46
LCK P06239 2/20 0.43
MAPK14 Q16539 2/20 0.43
TRPV1 Q8NER1 2/20 0.42
FLT3 P36888 1/20 0.42
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
TNIK Q9UKE5 1/20 0.40
BRAF P15056 1/20 0.40
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
MRGPRX1 Q96LB2 1/20 0.39
PABPC1 P11940 1/20 0.38
HTR2C P28335 1/20 0.38
MCHR1 Q99705 1/20 0.38
PLD2 O14939 1/20 0.38
PLD1 Q13393 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
SCHEMBL18170443 0.85 KDR (0.55) KDRTRPV1TNIK
SCHEMBL18170748 0.85 KDR (0.42) KDRTRPV1TMEM97SIGMAR1TNIK
SCHEMBL18170931 0.84 KDR (0.54) KDRTRPV1TNIK
SCHEMBL18170539 0.84 KDR (0.54) KDRTRPV1TNIK
SCHEMBL18170619 0.84 KDR (0.49) KDRFLT3NPC1POLBRAB9A
SCHEMBL18170615 0.82 HRH3 (0.45) KDRTNIK
SCHEMBL18170565 0.80 KDR (0.44) KDRTNIK
SCHEMBL18170822 0.80 KDR (0.43) KDRTNIKNPC1RAB9AMCHR1
SCHEMBL18170491 0.80 KDR (0.53) KDRTRPV1
Hydrochloric Acid SCHEMBL18170910 0.80 KDR (0.44) KDRTNIK

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 1662/4885LCK 344/4885MAPK14 534/4885

“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.