SCHEMBL17320452

SCHEMBL17320452

Cc1cc(CN2CCNCC2)cc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.59
CYP3A4 P08684 3/20 0.59
TSHR P16473 2/20 0.54
MEN1 O00255 1/20 0.51
TP53 P04637 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
CXCR4 P61073 1/20 0.46
ADRB1 P08588 1/20 0.45
USP2 O75604 3/20 0.45
CYP1A2 P05177 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
DDR1 Q08345 1/20 0.43
CHRM3 P20309 1/20 0.42
TACR1 P25103 1/20 0.42
CASP1 P29466 1/20 0.42

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
SCHEMBL19262510 0.89 CYP2D6 (0.72) CYP2D6CYP3A4TSHRMEN1TP53
SCHEMBL20676125 0.87 CYP2D6 (0.70) CYP2D6CYP3A4TSHRMEN1TP53
SCHEMBL24565989 0.86 ALDH1A1 (0.54) CYP2D6CYP3A4TSHRMEN1TP53
SCHEMBL10104420 0.86 ALDH1A1 (0.58) CYP2D6CYP3A4TSHRMEN1TP53
SCHEMBL13960087 0.84 ALDH1A1 (0.60) CYP2D6CYP3A4TSHRMEN1TP53
SCHEMBL3971878 0.84 CXCR4 (0.56) MEN1KMT2ACXCR4SIGMAR1CHRM3
SCHEMBL19262611 0.83 CYP3A4 (0.61) CYP2D6CYP3A4TSHRMEN1TP53
SCHEMBL428016 0.83 CHKA (0.52) CYP2D6CYP3A4TSHRCYP2C19USP2
SCHEMBL12426565 0.83 ALDH1A1 (0.51) CYP2D6CYP3A4TSHRCYP2C19USP2
SCHEMBL21951132 0.82 HIF1A (0.56) CYP2D6CYP3A4TSHRCYP2C19USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151001-A9 IMIDAZOPYRIDINE DERIVATIVES AND AZA-IMIDAZOPYRIDINE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-05-18 US disclosed
US-20220127260-A1 IMIDAZOPYRIDINE DERIVATIVES AND AZA-IMIDAZOPYRIDINE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-04-28 US disclosed
US-20190256494-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2019-08-22 US disclosed
US-9550772-B2 Azaindole derivatives as multi kinase inhibitors ORIBASE PHARMA (FR) 2017-01-24 US disclosed
US-9550772-B2 Azaindole derivatives as multi kinase inhibitors ORIBASE PHARMA (FR) 2017-01-24 US disclosed
US-9493455-B2 Azaindole derivatives as inhibitors of protein kinases ORIBASE PHARMA (FR) 2016-11-15 US disclosed
US-9493455-B2 Azaindole derivatives as inhibitors of protein kinases ORIBASE PHARMA (FR) 2016-11-15 US disclosed
US-9403823-B2 Protein kinase inhibitors ORIBASE PHARMA (FR) 2016-08-02 US disclosed
US-9403823-B2 Protein kinase inhibitors ORIBASE PHARMA (FR) 2016-08-02 US disclosed
US-20160009709-A1 PROTEIN KINASE INHIBITORS ORIBASE PHARMA (FR) 2016-01-14 US disclosed
US-20160009709-A1 PROTEIN KINASE INHIBITORS ORIBASE PHARMA (FR) 2016-01-14 US disclosed
US-20150353539-A1 AZAINDOLE DERIVATIVES AS MULTI KINASE INHIBITORS ORIBASE PHARMA (FR) 2015-12-10 US disclosed
US-20150353540-A1 AZAINDOLE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES ORIBASE PHARMA (FR) 2015-12-10 US disclosed
US-20150353540-A1 AZAINDOLE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES ORIBASE PHARMA (FR) 2015-12-10 US disclosed
US-20150353539-A1 AZAINDOLE DERIVATIVES AS MULTI KINASE INHIBITORS ORIBASE PHARMA (FR) 2015-12-10 US disclosed
WO-2015186137-A1 1H-1,8- NAPHTHYRIDIN-2ONES AS ANTI PROLIFERATIVE COMPOUNDS NATCO PHARMA LIMITED (IN) 2015-12-10 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 (6 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-20220127260-A1 IMIDAZOPYRIDINE DERIVATIVES AND AZA-IMIDAZOPYRIDINE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 CYP2D6 223/4885CYP3A4 249/4885TSHR 1311/4885
US-20150353540-A1 AZAINDOLE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES MAP3K5, MAP3K3, MAP3K20 CYP2D6 1808/4885CYP3A4 2653/4885TSHR 3586/4885
US-20230151001-A9 IMIDAZOPYRIDINE DERIVATIVES AND AZA-IMIDAZOPYRIDINE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 CYP2D6 223/4885CYP3A4 249/4885TSHR 1311/4885
US-20150353539-A1 AZAINDOLE DERIVATIVES AS MULTI KINASE INHIBITORS MAP2K2, MAP2K5, MAP2K3 CYP2D6 1798/4885CYP3A4 2859/4885TSHR 3808/4885
US-20160009709-A1 PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K2 CYP2D6 1984/4885CYP3A4 3437/4885TSHR 3947/4885
US-20190256494-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, ABHD16A, RABL6 CYP2D6 31/4885CYP3A4 973/4885TSHR 4703/4885

“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.