SCHEMBL21716728

SCHEMBL21716728

c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(-c2nc3ccccc3nc2-c2ccc3c(ccc4ccccc43)c2)cc2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PRSS1 P07477 1/20 0.33
GSR P00390 2/20 0.32
HPGD P15428 1/20 0.32
HTR6 P50406 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PDPK1 O15530 4/20 0.32
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31

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
SCHEMBL21716689 1.00 F2 (0.33) F2F10PRSS1GSRHPGD
SCHEMBL21716277 0.97 ALDH1A1 (0.33) F2F10PRSS1GSRHPGD
SCHEMBL21716769 0.95 PDPK1 (0.33) F2F10PRSS1PDPK1CA9
SCHEMBL21717615 0.95 KDM4E (0.36) F2F10PRSS1GSRHPGD
SCHEMBL21716923 0.94 GSR (0.31) F2F10PRSS1GSR
SCHEMBL21717674 0.93 PDPK1 (0.32) F2F10PRSS1PDPK1CA9
SCHEMBL24079241 0.93 GSR (0.36) F2F10PRSS1GSRHPGD
SCHEMBL21716687 0.93 GSR (0.36) F2F10PRSS1GSRHPGD
SCHEMBL21716765 0.92 KDM4E (0.32) F2F10PRSS1PDPK1CA9
SCHEMBL21716700 0.91 KDM4E (0.32) F2F10PRSS1KDM4EATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11192884-B2 Heterocyclic compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2021-12-07 US disclosed
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-13 US 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-11192884-B2 Heterocyclic compound and organic light-emitting device comprising same CYP1A1, CYP1B1, CRY1 F2 1187/4885F10 2054/4885PRSS1 4439/4885
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CYP1B1, CRY1 F2 1187/4885F10 2054/4885PRSS1 4439/4885

“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.