SCHEMBL645408

SCHEMBL645408

C=CCc1c(Cl)nc(Cl)nc1Cl

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
IMPDH2 P12268 1/20 0.31

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
SCHEMBL28041791 0.87
SCHEMBL3803757 0.81 NPSR1 (0.42) ALDH1A1NPSR1IMPDH2
SCHEMBL3277032 0.81 GAA (0.39) ALDH1A1TSHRNPSR1
SCHEMBL16511129 0.76 ALDH1A1 (0.30) ALDH1A1ALOX15TSHR
SCHEMBL16510912 0.75 ALDH1A1 (0.33) ALDH1A1ALOX15TSHR
SCHEMBL3258986 0.74 KDM4E (0.33) ALDH1A1NPSR1
SCHEMBL1350377 0.73 ALDH1A1 (0.36) ALDH1A1IMPDH2
SCHEMBL12495776 0.73 NPSR1 (0.30) NPSR1
SCHEMBL16511068 0.73 LMNA (0.33) ALDH1A1TSHR
SCHEMBL4847932 0.73 RXRA (0.50) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250388582-A1 NOVEL BICYCLIC HETEROARYL COMPOUND AND USE THEREOF ILDONG PHARMACEUTICAL CO LTD (KR) 2025-12-25 US disclosed
EP-4556476-A1 NOVEL BICYCLIC HETEROARYL COMPOUND AND USE THEREOF Ildong Pharmaceutical Co., Ltd. (KR) 2025-05-21 EP disclosed
US-20250145642-A1 BICYCLIC HETEROARENES AND METHODS OF THEIR USE Kineta, Inc. 2025-05-08 US disclosed
CN-118946360-A Bicyclic heteroarenes and methods of use thereof 奇尼塔公司 2024-11-12 CN disclosed
EP-4444317-A2 BICYCLIC HETEROARENES AND METHODS OF THEIR USE Kineta, Inc. (US) 2024-10-16 EP disclosed
WO-2024014885-A1 NOVEL BICYCLIC HETEROARYL COMPOUND AND USE THEREOF 일동제약(주) 2024-01-18 WO disclosed
US-20230271965-A1 BICYCLIC HETEROARENES AND METHODS OF THEIR USE YUMANITY THERAPEUTICS, INC. 2023-08-31 US disclosed
US-20230271965-A1 BICYCLIC HETEROARENES AND METHODS OF THEIR USE YUMANITY THERAPEUTICS, INC. 2023-08-31 US disclosed
WO-2023107623-A2 BICYCLIC HETEROARENES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 WO disclosed
WO-2023107623-A2 BICYCLIC HETEROARENES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 WO disclosed
WO-2011152485-A1 NOVEL 4,5-FUSED PYRIMIDINE DERIVATIVE 大日本住友製薬株式会社 (JP) 2011-12-08 WO disclosed
WO-2009085797-A1 PROCESSES FOR PREPARING HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-07-09 WO disclosed
US-20090163712-A1 PROCESSES FOR PREPARING HIV REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-06-25 US disclosed
US-7439240-B2 Purine-or pyrrolol[2,3-d]pyrimidine-2-carbonitiles for treating diseases associated with cysteine protease activity ASTRAZENECA AB (SE) 2008-10-21 US disclosed
US-20080125426-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-05-29 US disclosed
US-20080119469-A1 1-(4-methylphenyl)-4-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidine-6-carbonitrile; reversible inhibitors of cysteine proteases S, K, F, L, B; diseases associated with Cathepsin S; antiinflammatory agent, autoimmune diseases; asthma, rheumatoid arthritis, multiple sclerosis, Crohn's, Alzheimer's diseases ASTRAZENECA AB (SE) 2008-05-22 US disclosed
EP-1532148-B1 NOVEL PURINE- OR PYRROLOL(2,3-D)PYRIMIDINE-2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY ASTRAZENECA AB (SE) 2007-01-17 EP disclosed
US-20050203107-A1 Reversible inhibitors of cysteine proteases S, K, F, L and B; inhibiting Cathepsin S; analgesics; 1-[9-(4-Chlorophenyl)-2-cyano-9H-purin-6-yl]-L-prolinamide for example ASTRAZENECA AB (SE) 2005-09-15 US disclosed
EP-1532148-A1 NOVEL PURINE- OR PYRROLOL(2,3-D)PYRIMIDINE-2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY AstraZeneca AB (SE) 2005-05-25 EP disclosed
WO-2004000843-A1 NOVEL PURINE- OR PYRROLOL[2,3-d]PYRIMIDINE-2-CARBONITILES FOR TREATING DISEASES ASSOCIATED WITH CYSTEINE PROTEASE ACTIVITY ASTRAZENECA AB (SE) 2003-12-31 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 (7 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-20230271965-A1 BICYCLIC HETEROARENES AND METHODS OF THEIR USE NLN, GRIN2C, BCHE ALDH1A1 1243/4885ALOX15 1628/4885TSHR 3951/4885
US-20080119469-A1 1-(4-methylphenyl)-4-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidine-6-carbonitrile; reversible inhibitors of cysteine proteases S, K, F, L, B; diseases associated with Cathepsin S; antiinflammatory agent, autoimmune diseases; asthma, rheumatoid arthritis, multiple sclerosis, Crohn's, Alzheimer's diseases CTSS, CTSB, CTSL ALDH1A1 2991/4885ALOX15 1736/4885TSHR 4376/4885
US-20080125426-A1 Novel Compounds CTSS, CTSB, CTSF ALDH1A1 3421/4885ALOX15 2460/4885TSHR 4591/4885
US-20250388582-A1 NOVEL BICYCLIC HETEROARYL COMPOUND AND USE THEREOF GBA1, PIKFYVE, MAN2B1 ALDH1A1 3837/4885ALOX15 2470/4885TSHR 3647/4885
US-20090163712-A1 PROCESSES FOR PREPARING HIV REVERSE TRANSCRIPTASE INHIBITORS POLB, POLR2E, POLR2H ALDH1A1 1058/4885ALOX15 1799/4885TSHR 3854/4885
US-20050203107-A1 Reversible inhibitors of cysteine proteases S, K, F, L and B; inhibiting Cathepsin S; analgesics; 1-[9-(4-Chlorophenyl)-2-cyano-9H-purin-6-yl]-L-prolinamide for example CTSB, CTSL, CTSS ALDH1A1 1961/4885ALOX15 2294/4885TSHR 4431/4885
US-20250145642-A1 BICYCLIC HETEROARENES AND METHODS OF THEIR USE TARDBP, TDP2, PSEN2 ALDH1A1 2999/4885ALOX15 2407/4885TSHR 4389/4885

“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.