SCHEMBL21031998

SCHEMBL21031998

Cc1ccnc2c1ccc1ccc(-c3cccc(-c4cccc(-c5cc6cccnc6c6ncccc56)c4)c3)nc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 6/20 0.59
CCR8 P51685 6/20 0.59
CCR5 P51681 4/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
PIK3CD O00329 1/20 0.40
DYRK1A Q13627 2/20 0.39
BRD4 O60885 1/20 0.39
PSMD14 O00487 2/20 0.38
COPS5 Q92905 2/20 0.38
AR P10275 2/20 0.38
CYP2C9 P11712 2/20 0.37
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GMNN O75496 1/20 0.36
TP53 P04637 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MMP2 P08253 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL25847351 0.84 CCR1 (0.54) CCR1CCR8CCR5L3MBTL1PSMD14
SCHEMBL21031252 0.81 CCR1 (0.57) CCR1CCR8CCR5L3MBTL1DYRK1A
SCHEMBL17174040 0.80 CCR1 (0.57) CCR1CCR8CCR5L3MBTL1BRD4
SCHEMBL10032465 0.80 CCR1 (0.57) CCR1CCR8CCR5L3MBTL1BRD4
SCHEMBL24475765 0.79 CCR1 (0.40) CCR1CCR8CCR5L3MBTL1BRD4
SCHEMBL17899298 0.79 CYP11B1 (0.49) CCR1CCR8CCR5L3MBTL1PIK3CD
SCHEMBL599744 0.78 CCR1 (0.59) CCR1CCR8CCR5L3MBTL1BRD4
SCHEMBL17174191 0.78 CCR1 (0.59) CCR1CCR8CCR5L3MBTL1BRD4
SCHEMBL29517679 0.78 CCR1 (0.59) CCR1CCR8CCR5L3MBTL1BRD4
SCHEMBL17146611 0.78 CCR1 (0.59) CCR1CCR8CCR5L3MBTL1BRD4

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-11691983-B2 Specifically substituted benzofuro- and benzothienoquinolines for organic light emitting diodes IDEMITSU KOSAN CO., LTD. (JP) 2023-07-04 US disclosed
US-20190161497-A1 SPECIFICALLY SUBSTITUTED BENZOFURO- AND BENZOTHIENOQUINOLINES FOR ORGANIC LIGHT EMITTING DIODES IDEMITSU KOSAN CO., LTD. (JP) 2019-05-30 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-11691983-B2 Specifically substituted benzofuro- and benzothienoquinolines for organic light emitting diodes KCNQ2, KCNQ1, KCNQ4 CCR1 4431/4885CCR8 4738/4885CCR5 2749/4885
US-20190161497-A1 SPECIFICALLY SUBSTITUTED BENZOFURO- AND BENZOTHIENOQUINOLINES FOR ORGANIC LIGHT EMITTING DIODES KCNQ2, KCNQ1, KCNQ4 CCR1 4431/4885CCR8 4738/4885CCR5 2749/4885

“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.