SCHEMBL21032002

SCHEMBL21032002

Cc1cc2ccc(-c3ccccc3)nc2c2ncccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.64
CCR8 P51685 4/20 0.64
L3MBTL1 Q9Y468 3/20 0.46
CCR5 P51681 2/20 0.46
TOP1 P11387 2/20 0.44
NPC1 O15118 3/20 0.43
HSP90AA1 P07900 1/20 0.43
HTT P42858 2/20 0.41
PSMD14 O00487 1/20 0.41
COPS5 Q92905 1/20 0.41
SLC6A2 P23975 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
DYRK1A Q13627 1/20 0.39

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
SCHEMBL21031257 0.97 CCR1 (0.60) CCR1CCR8L3MBTL1CCR5TOP1
SCHEMBL21031252 0.92 CCR1 (0.57) CCR1CCR8L3MBTL1CCR5TOP1
SCHEMBL17174173 0.84 CCR1 (0.49) CCR1CCR8L3MBTL1CCR5TOP1
SCHEMBL17174181 0.83 CCR1 (0.48) CCR1CCR8L3MBTL1CCR5TOP1
SCHEMBL21031996 0.82 CCR1 (0.61) CCR1CCR8L3MBTL1CCR5TOP1
SCHEMBL17174177 0.82 CCR1 (0.46) CCR1CCR8L3MBTL1CCR5TOP1
SCHEMBL20903641 0.81 CCR1 (0.46) CCR1CCR8L3MBTL1CCR5TOP1
SCHEMBL21917129 0.81 PARP1 (0.42) CCR1CCR8L3MBTL1NPC1ALDH1A1
SCHEMBL17051648 0.80 CCR1 (0.74) CCR1CCR8L3MBTL1CCR5NPC1
SCHEMBL21032004 0.79 CCR1 (0.58) CCR1CCR8L3MBTL1CCR5TOP1

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 3 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-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 4738/4885L3MBTL1 1618/4885
US-20190161497-A1 SPECIFICALLY SUBSTITUTED BENZOFURO- AND BENZOTHIENOQUINOLINES FOR ORGANIC LIGHT EMITTING DIODES KCNQ2, KCNQ1, KCNQ4 CCR1 4431/4885CCR8 4738/4885L3MBTL1 1618/4885

“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.