SCHEMBL1104803

SCHEMBL1104803

Cc1cc(-c2ccccn2)nc(-c2ccccn2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.64
CCR5 P51681 4/20 0.64
CCR8 P51685 4/20 0.64
KDM4E B2RXH2 8/20 0.64
TP53 P04637 5/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
LMNA P02545 3/20 0.64
ALOX15 P16050 3/20 0.64
L3MBTL1 Q9Y468 3/20 0.64
TDP1 Q9NUW8 2/20 0.64
HTT P42858 2/20 0.64
ALPL P05186 1/20 0.64
HSP90AA1 P07900 1/20 0.64
ALPI P09923 1/20 0.64
ALPG P10696 1/20 0.64
MAPK1 P28482 1/20 0.64
METAP1 P53582 2/20 0.61
CYP1A2 P05177 1/20 0.61
POLB P06746 1/20 0.61
BLM P54132 1/20 0.61

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
SCHEMBL17132034 0.92 CCR1 (0.63) CCR1CCR5CCR8KDM4ETP53
SCHEMBL1104818 0.91 CCR1 (0.55) CCR1CCR5CCR8KDM4ETP53
SCHEMBL10953652 0.90 KDM4E (0.54) CCR1CCR5CCR8KDM4ETP53
SCHEMBL28449772 0.88 KDM4E (0.52) CCR1CCR5CCR8KDM4ETP53
SCHEMBL14470109 0.88 CCR1 (0.56) CCR1CCR5CCR8KDM4ETP53
SCHEMBL30040091 0.88 CCR1 (0.56) CCR1CCR5CCR8KDM4ETP53
SCHEMBL11996129 0.88 CCR1 (0.51) CCR1CCR5CCR8KDM4ETP53
SCHEMBL863171 0.84 KDM4E (0.67) CCR1CCR5CCR8KDM4ETP53
SCHEMBL12564832 0.84 CCR1 (0.56) CCR1CCR5CCR8KDM4ETP53
SCHEMBL11996128 0.83 CYP2A6 (0.65) CCR1CCR5CCR8KDM4ETP53

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 542 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3935129-B1 LIGANDS FOR NANO-SIZED MATERIALS MERCK PATENT GMBH (DE) 2023-11-29 EP disclosed
US-11778907-B2 Composition for organic electronic devices MERCK PATENT GMBH (DE) 2023-10-03 US disclosed
US-11778907-B2 Composition for organic electronic devices MERCK PATENT GMBH (DE) 2023-10-03 US disclosed
EP-3237387-B1 HETEROCYCLIC COMPOUNDS WITH DIBENZAZAPINE STRCTURES MERCK PATENT GMBH (DE) 2023-09-06 EP disclosed
US-11744151-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-08-29 US disclosed
US-11744151-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-08-29 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-11691983-B2 Specifically substituted benzofuro- and benzothienoquinolines for organic light emitting diodes IDEMITSU KOSAN CO., LTD. (JP) 2023-07-04 US disclosed
US-20230210004-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-29 US disclosed
US-20230210004-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-29 US disclosed
US-20070273270-A1 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2007-11-29 US disclosed
US-20070273270-A1 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2007-11-29 US disclosed
US-20070276104-A1 LIGAND-FUNCTIONALIZED/AZO COMPOUNDS AND METHODS OF USE THEREOF HARRUNA ISSIFU I 2007-11-29 US disclosed
US-20070276104-A1 LIGAND-FUNCTIONALIZED/AZO COMPOUNDS AND METHODS OF USE THEREOF HARRUNA ISSIFU I 2007-11-29 US disclosed
US-20070275266-A1 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2007-11-29 US disclosed
US-20070275266-A1 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2007-11-29 US disclosed
US-20070120121-A1 Compound for molecular electronic device having thiol anchoring group, method of synthesizing the compound, and molecular electronic device having molecular active layer obtained from the compound ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE 2007-05-31 US disclosed
US-6258941-B1 METAL COMPLEX COVALENTLY LINKED TO NUCLEOSIDE, NUCLEOTIDE, OR OLIGONUCLEOTIDE; COMPLEX IS CAPABLE OF HYDROLYZING RNA; SYNTHETIC RIBOZYMES/ANTISENSE AGENTS FOR GENE EXPRESSION INHIBITION WASHINGTON UNIVERSITY 2001-07-10 US disclosed
EP-0533753-A1 RNA HYDROLYSIS/CLEAVAGE WASHINGTON UNIVERSITY (US) 1993-03-31 EP disclosed
WO-1991019730-A1 RNA HYDROLYSIS/CLEAVAGE MONSANTO COMPANY (US) 1991-12-26 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 (4 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 4431/4885CCR5 2749/4885CCR8 4738/4885
US-11744151-B2 Organic electroluminescent materials and devices OCIAD2, OCIAD1, JUND CCR1 3882/4885CCR5 1112/4885CCR8 3614/4885
US-20070276104-A1 LIGAND-FUNCTIONALIZED/AZO COMPOUNDS AND METHODS OF USE THEREOF FLT3, ALK, NECTIN4 CCR1 204/4885CCR5 210/4885CCR8 124/4885
US-20230210004-A1 MATERIALS FOR ELECTRONIC DEVICES EPHB3, EPHA3, EPHB4 CCR1 863/4885CCR5 393/4885CCR8 1274/4885

“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.