SCHEMBL18170624

SCHEMBL18170624

O=C(Nc1ccc(-c2ccc(C(F)(F)F)cc2)c2c1C(=O)NC2)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.64
HDAC2 Q92769 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PTGS1 P23219 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
CASP3 P42574 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
P2RX1 P51575 1/20 0.41

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
SCHEMBL18171025 0.90 KDR (0.69) KDRHDAC2CASP3
SCHEMBL18170962 0.90 KDR (0.60) KDRALDH1A1PTGS1RXFP1
SCHEMBL18170534 0.89 KDR (0.67) KDRNPC1RAB9AALDH1A1TRPV1
SCHEMBL18170598 0.89 KDR (0.66) KDRHDAC2NPC1RAB9AALDH1A1
SCHEMBL18170725 0.88 KDR (0.64) KDRHDAC2ALDH1A1CASP3
SCHEMBL18170818 0.88 KDR (0.60) KDRTRPV1CASP3
Hydrochloric Acid SCHEMBL18170518 0.87 KDR (0.63) KDRHDAC2ALDH1A1CASP3
SCHEMBL18171021 0.87 KDR (0.75) KDRNPC1RAB9ACASP3
SCHEMBL18170451 0.87 KDR (0.66) KDRALDH1A1CASP3RXFP1
SCHEMBL18170695 0.86 KDR (0.68) KDRHDAC2CASP3

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 1662/4885HDAC2 2231/4885NPC1 2005/4885

“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.