SCHEMBL17865293

SCHEMBL17865293

c1cc2nc3sccc3nc2s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.37
NTRK2 Q16620 3/20 0.37
CLK4 Q9HAZ1 3/20 0.37
LTK P29376 2/20 0.37
TYRO3 Q06418 2/20 0.37
CHEK1 O14757 2/20 0.34
AURKA O14965 2/20 0.34
DAPK3 O43293 2/20 0.34
JAK2 O60674 2/20 0.34
ABL1 P00519 2/20 0.34
CSF1R P07333 2/20 0.34
RET P07949 2/20 0.34
IGF1R P08069 2/20 0.34
PDGFRB P09619 2/20 0.34
PIM1 P11309 2/20 0.34
FGFR1 P11362 2/20 0.34
PRKACA P17612 2/20 0.34
KDR P35968 2/20 0.34
MAP2K2 P36507 2/20 0.34
FLT3 P36888 2/20 0.34

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
SCHEMBL15424496 0.82 NTRK1 (0.35) NTRK1NTRK2CLK4LTKTYRO3
SCHEMBL19303455 0.78
SCHEMBL18965684 0.78 TDP1 (0.33) NTRK1NTRK2CLK4LTKTYRO3
SCHEMBL18909176 0.78 NTRK1 (0.36) NTRK1NTRK2CLK4LTKTYRO3
SCHEMBL15423515 0.77 ADORA3 (0.39) NTRK1NTRK2CLK4LTKTYRO3
SCHEMBL14148695 0.77 KDM4E (0.40) NTRK1NTRK2CLK4LTKTYRO3
SCHEMBL1512664 0.77 USP8 (0.32)
SCHEMBL14104388 0.77 ADORA2A (0.36) NTRK1NTRK2CLK4LTKTYRO3
SCHEMBL2292444 0.75 KDM4E (0.46) ADORA2APDPK1ADORA1HTTKMT2A
SCHEMBL21610583 0.74 ADORA3 (0.32) ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118834555-A Weather-resistant ultraviolet photochromic coating and preparation method thereof 上海亿乾实业有限公司 2024-10-25 CN claimed
CN-103059041-B One class pyrazine 1,4-Dithiapentalene derivative and preparation method thereof UNIVERSITY OF SCIENCE AND TECHNOLOGY BEIJING (CN) 2015-11-11 CN claimed
CN-118834555-A Weather-resistant ultraviolet photochromic coating and preparation method thereof 上海亿乾实业有限公司 2024-10-25 CN disclosed
US-20170365791-A1 HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTRONICS BASF SE (DE) 2017-12-21 US disclosed
US-20170365791-A1 HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTRONICS BASF SE (DE) 2017-12-21 US disclosed
WO-2016096967-A1 6H-PYRROLO[3,2-B:4,5-B']BIS[1,4]BENZOTHIAZINE-6-CARBOXYLIC ACID ESTERS AS ORGANIC SEMICONDUCTOR MATERIALS FOR USE IN ELECTRONIC DEVICES BASF SE (DE) 2016-06-23 WO disclosed
CN-103059041-B One class pyrazine 1,4-Dithiapentalene derivative and preparation method thereof UNIVERSITY OF SCIENCE AND TECHNOLOGY BEIJING (CN) 2015-11-11 CN 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-20170365791-A1 HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTRONICS OR10J3, NR0B1, NR0B2 NTRK1 909/4885NTRK2 1464/4885CLK4 3692/4885

“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.