SCHEMBL18488387

SCHEMBL18488387

CC(Nc1nc(Cl)ncc1Cl)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.47
NR2F2 P24468 1/20 0.47
LDHA P00338 2/20 0.46
LDHB P07195 2/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HTT P42858 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.44
GAA P10253 1/20 0.43
SOS1 Q07889 1/20 0.43
CCNE2 O96020 3/20 0.43
CCNE1 P24864 3/20 0.43
CDK2 P24941 3/20 0.43
CDK4 P11802 2/20 0.43
CCND1 P24385 2/20 0.43

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
SCHEMBL18489016 1.00 GALR3 (0.47) GALR3NR2F2LDHALDHBHDAC4
SCHEMBL20421869 1.00 GALR3 (0.47) GALR3NR2F2LDHALDHBHDAC4
SCHEMBL22866341 0.86 HTT (0.48) GALR3NR2F2LDHALDHBHDAC4
SCHEMBL653243 0.85 KMT2A (0.47) GALR3NR2F2LDHALDHBHDAC4
SCHEMBL12067330 0.85 LDHB (0.46) GALR3NR2F2LDHALDHBHTT
SCHEMBL29019898 0.85 NTRK1 (0.52) MEN1KMT2ASOS1CCNE2CCNE1
SCHEMBL6210546 0.85 GALR3 (0.44) GALR3NR2F2LDHALDHBHDAC4
SCHEMBL6835083 0.85 GALR3 (0.44) GALR3NR2F2LDHALDHBHDAC4
SCHEMBL655605 0.85 KMT2A (0.47) GALR3NR2F2LDHALDHBHDAC4
SCHEMBL6829636 0.85 GALR3 (0.44) GALR3NR2F2LDHALDHBHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336734-B2 Inhibitors of ACK1/TNK2 tyrosine kinase H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2019-07-02 US disclosed
US-20180215738-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2018-08-02 US disclosed
WO-2017023899-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE (US) 2017-02-09 WO 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 (2 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-10336734-B2 Inhibitors of ACK1/TNK2 tyrosine kinase TNK1, TNNI3K, TNK2 GALR3 1984/4885NR2F2 2123/4885LDHA 2395/4885
US-20180215738-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE TNK1, TNNI3K, TNK2 GALR3 1984/4885NR2F2 2123/4885LDHA 2395/4885

“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.