SCHEMBL18488333

SCHEMBL18488333

Clc1ccc(CCNc2nc(Cl)ncc2Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.46
IGF1R P08069 1/20 0.42
STK17A Q9UEE5 5/20 0.42
CNR1 P21554 1/20 0.41
STK17B O94768 3/20 0.41
KMT2A Q03164 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
P2RX7 Q99572 2/20 0.39
DPP4 P27487 1/20 0.39
PTGDR Q13258 1/20 0.38
AKT3 Q9Y243 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
SCHEMBL18488334 0.84 GPR84 (0.42) GPR84IGF1RSTK17ACNR1STK17B
SCHEMBL18488672 0.82 MEN1 (0.50) GPR84STK17ASTK17BKMT2ATAAR1
SCHEMBL30395436 0.76 CCND3 (0.53) GPR84STK17ASTK17BTAAR1ALDH1A1
SCHEMBL20421838 0.76 CCND3 (0.53) GPR84STK17ASTK17BTAAR1ALDH1A1
SCHEMBL18493897 0.76 STK17B (0.43) STK17ASTK17BKMT2ATAAR1
SCHEMBL18488360 0.75 APP (0.60) STK17ASTK17BKMT2A
SCHEMBL29555879 0.75 APP (0.60) STK17ASTK17BKMT2A
SCHEMBL18488448 0.75 HDAC3 (0.47) STK17ASTK17BTAAR1ALDH1A1
SCHEMBL21214764 0.73 HPGD (0.45) STK17AKMT2AALDH1A1HPGDP2RX7
SCHEMBL18488988 0.73 JAK2 (0.56) STK17ACNR1STK17BKMT2ATAAR1

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-10336734-B2 Inhibitors of ACK1/TNK2 tyrosine kinase H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2019-07-02 US disclosed
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
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 GPR84 2639/4885IGF1R 857/4885STK17A 23/4885
US-20180215738-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE TNK1, TNNI3K, TNK2 GPR84 2639/4885IGF1R 857/4885STK17A 23/4885

“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.