SCHEMBL18488673

SCHEMBL18488673

Clc1ncc(Cl)c(NCCCc2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.50
CTSC P53634 1/20 0.50
HPGD P15428 1/20 0.50
PIK3CD O00329 1/20 0.49
PIK3R1 P27986 1/20 0.49
STK17A Q9UEE5 5/20 0.47
STK17B O94768 3/20 0.47
CYP2D6 P10635 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP1A2 P05177 2/20 0.46
SIRT5 Q9NXA8 1/20 0.46
CYP3A4 P08684 1/20 0.45
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP2C9 P11712 1/20 0.44
ADK P55263 1/20 0.44
GBA1 P04062 1/20 0.43
SIGMAR1 Q99720 1/20 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
SCHEMBL29555879 0.91 APP (0.60) APPSTK17ASTK17BCYP2D6CYP2C19
SCHEMBL18488360 0.91 APP (0.60) APPSTK17ASTK17BCYP2D6CYP2C19
SCHEMBL6212947 0.86 APP (0.48) APPHPGDPIK3CDPIK3R1STK17A
SCHEMBL18488674 0.86 CTSC (0.48) CTSCHPGDPIK3CDPIK3R1STK17A
SCHEMBL2517887 0.82 MTNR1A (0.49) STK17ASTK17B
SCHEMBL14662240 0.81 APP (0.58) APPCYP2D6CYP2C19CYP1A2SIRT5
SCHEMBL18488672 0.78 MEN1 (0.50) APPSTK17ASTK17BCYP2D6CYP2C19
SCHEMBL24255306 0.77 APP (0.50) APPCYP2D6CYP2C19CYP1A2CYP3A4
SCHEMBL21460559 0.77 APP (0.57) APPHPGDCYP2D6CYP2C19CYP1A2
SCHEMBL31684787 0.77 RAB9A (0.44) APPSTK17ASTK17BCYP2D6CYP2C19

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 APP 4857/4885CTSC 2075/4885HPGD 1979/4885
US-20180215738-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE TNK1, TNNI3K, TNK2 APP 4857/4885CTSC 2075/4885HPGD 1979/4885

“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.