SCHEMBL1508069

SCHEMBL1508069

Cc1ccnc(-c2cc(C=O)ccn2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.65
CCR5 P51681 2/20 0.65
CCR8 P51685 2/20 0.65
CYP2A6 P11509 2/20 0.47
METAP2 P50579 1/20 0.47
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
UHRF1 Q96T88 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A3 P47895 2/20 0.39
KDM1A O60341 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL29943121 1.00 CCR1 (0.65) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL29387096 0.88 CCR1 (0.42) CCR1CCR5CCR8CYP2A6ALDH1A1
SCHEMBL730405 0.88 CCR1 (0.42) CCR1CCR5CCR8CYP2A6ALDH1A1
SCHEMBL28023670 0.87 CCR1 (0.50) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL30259554 0.86 CCR1 (0.41) CCR1CCR5CCR8CYP2A6ALDH1A1
SCHEMBL30259309 0.86 CCR1 (0.41) CCR1CCR5CCR8CYP2A6ALDH1A1
SCHEMBL7217946 0.84 CCR1 (0.71) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL7217944 0.84 CCR1 (0.71) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL25282590 0.81 KDM1A (0.43) CCR1CCR5CCR8CYP2A6ALDH1A1
SCHEMBL7236054 0.81 CCR1 (0.55) CCR1CCR5CCR8CYP2A6METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12636366-B2 Ruthenium (II) complexes and conjugates thereof for use as photosensitizer agent in photodynamic therapy ECOLE NATIONALE SUPERIEURE DE CHIMIE DE PARIS (FR) 2026-05-26 US disclosed
CN-116162113-A Bipyridine ruthenium complex with photodynamic therapy effect, and preparation method and application thereof 南通大学 2023-05-26 CN disclosed
US-20230125122-A1 NOVEL TRANSITION METAL ELECTRON TRANSFER COMPLEX HAVING C-N LIGAND AND ELECTROCHEMICAL BIO SENSOR USING SAME SOGANG UNIVERSITY RESEARCH & BUSINESS DEVELOPMENT FOUNDATION (KR) 2023-04-27 US disclosed
US-20230125122-A1 NOVEL TRANSITION METAL ELECTRON TRANSFER COMPLEX HAVING C-N LIGAND AND ELECTROCHEMICAL BIO SENSOR USING SAME SOGANG UNIVERSITY RESEARCH & BUSINESS DEVELOPMENT FOUNDATION (KR) 2023-04-27 US disclosed
CN-115894572-A Terpyridyl ruthenium complex and preparation method and application thereof 南通大学 2023-04-04 CN disclosed
CN-115850348-A Biquinoline/bipyridine ruthenium complex and preparation method and application thereof 南通大学 2023-03-28 CN disclosed
EP-4079740-A1 NOVEL TRANSITION METAL ELECTRON TRANSFER COMPLEX HAVING C-N LIGAND AND ELECTROCHEMICAL BIO SENSOR USING SAME I-SENS, INC. (KR) 2022-10-26 EP disclosed
US-20220296711-A1 Ruthenium (II) Complexes and Conjugates Thereof for Use as Photosensitizer Agent in Photodynamic Therapy UNIVERSITY OF ZÜRICH (CH) 2022-09-22 US disclosed
US-11214586-B2 Rhodamine triplet state complex and preparation and photodynamic therapy (PDT) study thereof SOUTHERN UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2022-01-04 US disclosed
US-11214586-B2 Rhodamine triplet state complex and preparation and photodynamic therapy (PDT) study thereof SOUTHERN UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2022-01-04 US disclosed
US-20100130733-A1 LUMINESCENT METAL ION COMPLEXES BIOSEARCH TECHNOLOGIES, INC. (US) 2010-05-27 US disclosed
US-20100130733-A1 LUMINESCENT METAL ION COMPLEXES BIOSEARCH TECHNOLOGIES, INC. (US) 2010-05-27 US disclosed
US-7635762-B2 Luminescent metal ion complexes BIOSEARCH TECHNOLOGIES, INC. (US) 2009-12-22 US disclosed
US-7635762-B2 Luminescent metal ion complexes BIOSEARCH TECHNOLOGIES, INC. (US) 2009-12-22 US disclosed
WO-2009140573-A1 COLLAGEN PEPTIDE CONJUGATES AND USES THEREFOR PURDUE RESEARCH FOUNDATION (US) 2009-11-19 WO disclosed
WO-2003055477-A1 METHOD FOR THE TREATMENT OF MC RECEPTOR RELATED DISORDERS WITH A CHELATE AND/OR A CHELATOR 7TM PHARMA A/S (DK) 2003-07-10 WO disclosed
WO-2003003009-A1 USE OF METAL-ION CHELATES IN VALIDATING BIOLOGICAL MOLECULES AS DRUG TARGETS IN TEST ANIMAL MODELS 7TM PHARMA A/S (DK) 2003-01-09 WO disclosed
WO-2003003008-A1 CHEMICAL LIBRARIES USEFUL FOR DRUG DISCOVERY PROCESSES 7TM PHARMA A/S (DK) 2003-01-09 WO disclosed
US-20020177695-A1 Nucleic acid probes and methods DUKE UNIVERSITY 2002-11-28 US disclosed
US-6288221-B1 REPLACING NUCLEOSIDE WITH DIMETHOXYTRITYL, PHOSPHORAMIDITE, OR HALONUCLEOSIDE DERIVATIVE; ELECTROCHEMICAL OR PHOTOCHEMICAL DETECTION OF NUCLEIC ACID SEQUENCES DUKE UNIVERSITY 2001-09-11 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 (6 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-20220296711-A1 Ruthenium (II) Complexes and Conjugates Thereof for Use as Photosensitizer Agent in Photodynamic Therapy ANXA5, CD47, SPR CCR1 3484/4885CCR5 1969/4885CCR8 4073/4885
US-11214586-B2 Rhodamine triplet state complex and preparation and photodynamic therapy (PDT) study thereof MT-CO1, MT-CO3, MT-CO2 CCR1 4726/4885CCR5 4866/4885CCR8 4718/4885
US-12636366-B2 Ruthenium (II) complexes and conjugates thereof for use as photosensitizer agent in photodynamic therapy FABP2, APC, TP53 CCR1 1967/4885CCR5 1492/4885CCR8 1892/4885
US-20100130733-A1 LUMINESCENT METAL ION COMPLEXES SLC30A6, SLC39A14, SLC39A3 CCR1 3924/4885CCR5 2756/4885CCR8 4032/4885
US-20230125122-A1 NOVEL TRANSITION METAL ELECTRON TRANSFER COMPLEX HAVING C-N LIGAND AND ELECTROCHEMICAL BIO SENSOR USING SAME MB, CACYBP, SPR CCR1 1590/4885CCR5 884/4885CCR8 647/4885
US-20020177695-A1 Nucleic acid probes and methods NUDT1, NT5C3B, NT5C2 CCR1 3566/4885CCR5 1372/4885CCR8 2963/4885

“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.