SCHEMBL18170728

SCHEMBL18170728

CN(C)CCNc1ccc(C(=O)Nc2ccc(Br)c3c2C(=O)NC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.42
TOP2B Q02880 2/20 0.41
PARP1 P09874 1/20 0.40
TNIK Q9UKE5 1/20 0.36
PLK1 P53350 3/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC1 Q13547 2/20 0.36
NAMPT P43490 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
RPS6KA2 Q15349 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAOA P21397 1/20 0.34
CNR1 P21554 1/20 0.34
DRD4 P21917 1/20 0.34
ACHE P22303 1/20 0.34
HRH2 P25021 1/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL18170450 0.94 TOP2B (0.42) KDRTOP2BPARP1PLK1HDAC8
SCHEMBL18170969 0.85 KDR (0.49) KDRTOP2BPARP1TNIKPLK1
SCHEMBL18170486 0.85 KDR (0.59) KDRTOP2BPARP1TNIKHDAC1
SCHEMBL18170663 0.82 KDR (0.46) KDRTOP2BPARP1TNIKHDAC8
SCHEMBL18170436 0.82 EPHX2 (0.41) KDRPARP1TNIKNAMPTPOLB
SCHEMBL18170513 0.82 KDR (0.47) KDRTOP2BPARP1TNIKPLK1
SCHEMBL18170611 0.82 KDR (0.47) KDRTOP2BPARP1TNIKMAPK14
SCHEMBL18170701 0.82 CYP1A2 (0.41) KDRTNIKNAMPTMAPTCYP1A2
SCHEMBL18170749 0.82 CYP1A2 (0.41) KDRTNIKNAMPTMAPTCYP1A2
SCHEMBL18170429 0.81 KDR (0.47) KDRTOP2BNAMPTRPS6KA2HTR2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1662/4885TOP2B 866/4885PARP1 2518/4885

“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.