SCHEMBL6474069

SCHEMBL6474069

Cc1nc(Cl)nc(N)c1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.35
ALDH1A1 P00352 4/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
IDO1 P14902 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HTT P42858 1/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
CSNK1A1 P48729 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
CACNA1B Q00975 1/20 0.30

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
SCHEMBL18520396 0.86 ALDH1A1 (0.41) CDK1ALDH1A1ALOX15TSHRLMNA
SCHEMBL19754271 0.79 IDO1 (0.41) CDK1ALDH1A1ALOX15TSHRLMNA
SCHEMBL3847571 0.79 ALDH1A1 (0.35) ALDH1A1ALOX15TSHRLMNAKDM4E
SCHEMBL19984155 0.79 PDE10A (0.38) CDK1ALDH1A1ALOX15TSHRLMNA
SCHEMBL30696400 0.77 LMNA (0.52) CDK1ALDH1A1ALOX15TSHRLMNA
SCHEMBL11775855 0.77 LMNA (0.52) CDK1ALDH1A1ALOX15TSHRLMNA
SCHEMBL18153980 0.75 CDK1 (0.33) CDK1ALDH1A1ALOX15TSHRLMNA
SCHEMBL18913381 0.75 CDK1 (0.33) CDK1ALDH1A1ALOX15TSHRLMNA
SCHEMBL14864520 0.75 PDE10A (0.41) CDK1ALDH1A1ALOX15TSHRLMNA
SCHEMBL3444583 0.72 ALDH1A1 (0.39) CDK1ALDH1A1ALOX15TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4676926-A1 BICYCLIC HETEROARYL COMPOUNDS FOR USE AS GPR35 MODULATORS ThirtyFiveBio Limited (GB) 2026-01-14 EP disclosed
WO-2024184650-A1 BICYCLIC HETEROARYL COMPOUNDS FOR USE AS GPR35 MODULATORS. ThirtyFiveBio Limited (GB) 2024-09-12 WO disclosed
WO-2020186220-A1 COMPOUNDS AS INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR IMMUNOPHAGE BIOMEDICAL CO., LTD. (CN) 2020-09-17 WO disclosed
US-6919455-B2 Purine derivative dihydrate, drugs containing the same as the active ingredient and intermediate in the production thereof MITSUBISHI CHEMICAL CORPORATION (JP) 2005-07-19 US disclosed
CN-1160355-C Purine derivative dihydrate, drug containing the compound as active ingredient, and intermediate for production thereof ������ѧ��ʽ���� 2004-08-04 CN disclosed
US-20040077665-A1 Purine derivative dihydrate, drugs containing the same as the active ingredient and intermediate in the production thereof MITSUBISHI CHEMICAL CORPORATION (JP) 2004-04-22 US disclosed
US-6660745-B1 Phosphodiesterase inhibitors; treatment of asthma, chronic obstructive pulmonary disease, inflammatory disorders MITSUBISHI CHEMICAL CORPORATION (JP) 2003-12-09 US disclosed
EP-1178046-B1 PURINE DERIVATIVE DIHYDRATE, DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT AND INTERMEDIATE IN THE PRODUCTION THEREOF MITSUBISHI CHEM CORP (JP) 2003-11-19 EP disclosed
CN-1350535-A Purine derivative dihydrate, drug containing the compound as active ingredient, and intermediate for production thereof MITSUBISHI CHEM CORP (JP) 2002-05-22 CN disclosed
EP-1178046-A1 PURINE DERIVATIVE DIHYDRATE, DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT AND INTERMEDIATE IN THE PRODUCTION THEREOF MITSUBISHI CHEMICAL CORPORATION (JP) 2002-02-06 EP disclosed
US-5332744-A Hypotensive, congestive heart failure, intraocular pressure MERCK & CO., INC. (US) 1994-07-26 US disclosed
US-5177074-A Heterocyclic nitrogen compounds used to treat hypertension, cognitive dysfunction, anxiety or depression MERCK & CO., INC. (US) 1993-01-05 US disclosed
EP-0513979-A1 Angiotensin II antagonists incorporating a substituted thiophene or furan MERCK & CO. INC. (US) 1992-11-19 EP disclosed
US-5157026-A Oxo-purines as angiotensin II antagonists MERCK & CO., INC. (US) 1992-10-20 US disclosed
EP-0508723-A1 Angiotensin II antagonists incorporating an indole or dihydroindole MERCK & CO. INC. (US) 1992-10-14 EP disclosed
US-5151435-A Hypotensive agents, glaucoma and cognition activators MERCK & CO., INC. (US) 1992-09-29 US disclosed
US-5102880-A Biphenyl imidazotriazine derivatives; Hypotensive and cardiotonic agents MERCK & CO., INC. (US) 1992-04-07 US disclosed
EP-0400974-A2 Substituted imidazo-fused 6-membered heterocycles as angiotensin II antagonists MERCK & CO. INC. (US) 1990-12-05 EP 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 (1 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-20040077665-A1 Purine derivative dihydrate, drugs containing the same as the active ingredient and intermediate in the production thereof DPYD, NUDT1, PNP CDK1 1853/4885ALDH1A1 323/4885ALOX15 830/4885

“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.