SCHEMBL14964635

SCHEMBL14964635

Nc1ccccc1-c1ncnc2c1ncn2C1CCCCO1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 4/20 0.60
PI4K2B Q8TCG2 4/20 0.60
PI4K2A Q9BTU6 4/20 0.60
PI4KB Q9UBF8 4/20 0.60
MEN1 O00255 2/20 0.60
ALDH1A1 P00352 2/20 0.60
KMT2A Q03164 2/20 0.60
TP53 P04637 1/20 0.60
CYP2C9 P11712 1/20 0.60
NFKB1 P19838 1/20 0.60
MAPK1 P28482 1/20 0.60
HSD17B10 Q99714 1/20 0.60
APEX1 P27695 1/20 0.60
BLM P54132 1/20 0.60
ADCY1 Q08828 1/20 0.60
CYP2C19 P33261 1/20 0.57
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CYP1A2 P05177 2/20 0.49

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
SCHEMBL30078296 0.87 PI4KA (0.53) PI4KAPI4K2BPI4K2API4KBMEN1
SCHEMBL30622731 0.84 CYP2C19 (0.54) PI4KAPI4K2BPI4K2API4KBMEN1
SCHEMBL14248919 0.84 YTHDC1 (0.58) PI4KAPI4K2BPI4K2API4KBMEN1
SCHEMBL29877577 0.83 CYP2C19 (0.55) PI4KAPI4K2BPI4K2API4KBMEN1
SCHEMBL114339 0.83 CYP2C19 (0.55) PI4KAPI4K2BPI4K2API4KBMEN1
SCHEMBL16139088 0.82 NPC1 (0.44) PI4KAPI4K2BPI4K2API4KBMEN1
SCHEMBL675830 0.80 PI4KA (0.92) PI4KAPI4K2BPI4K2API4KBMEN1
SCHEMBL30988430 0.80 PI4KA (0.92) PI4KAPI4K2BPI4K2API4KBMEN1
SCHEMBL4070092 0.78 NPC1 (0.54) PI4KAPI4K2BPI4K2API4KBMEN1
SCHEMBL30580680 0.78 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780341-B1 KINASE MODULATING COMPOUNDS, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2019-02-13 EP disclosed
EP-2780341-B1 KINASE MODULATING COMPOUNDS, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2019-02-13 EP disclosed
US-9550781-B2 Kinase modulating compounds, compositions containing the same and use thereof CENTAURUS BIOPHARMA CO., LTD. (CN) 2017-01-24 US disclosed
US-9550781-B2 Kinase modulating compounds, compositions containing the same and use thereof CENTAURUS BIOPHARMA CO., LTD. (CN) 2017-01-24 US disclosed
US-9550781-B2 Kinase modulating compounds, compositions containing the same and use thereof CENTAURUS BIOPHARMA CO., LTD. (CN) 2017-01-24 US disclosed
US-20140296261-A1 KINASE MODULATING COMPOUNDS, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF CENTAURUS BIOPHARMA CO., LTD. (CN) 2014-10-02 US disclosed
US-20140296261-A1 KINASE MODULATING COMPOUNDS, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF CENTAURUS BIOPHARMA CO., LTD. (CN) 2014-10-02 US disclosed
US-20140296261-A1 KINASE MODULATING COMPOUNDS, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF CENTAURUS BIOPHARMA CO., LTD. (CN) 2014-10-02 US disclosed
EP-2780341-A1 KINASE MODULATING COMPOUNDS, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF Centaurus Biopharma Co., Ltd. (CN) 2014-09-24 EP disclosed
WO-2013071865-A1 KINASE MODULATING COMPOUNDS, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF CENTAURUS BIOPHARMA CO., LTD. (CN) 2013-05-23 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 (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-20140296261-A1 KINASE MODULATING COMPOUNDS, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF MAP3K20, MAP3K1, PRKCH PI4KA 208/4885PI4K2B 256/4885PI4K2A 274/4885

“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.