SCHEMBL1170110

SCHEMBL1170110

CCCCCn1c(N)nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 13/20 1.00
▸ CXCR4 P61073 1/20 0.84
▸ POLB P06746 1/20 0.79
▸ HTT P42858 2/20 0.68
▸ CYP1A2 P05177 1/20 0.68
▸ CYP2D6 P10635 1/20 0.68
▸ ALDH1A1 P00352 1/20 0.59

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
SCHEMBL16512992 0.98 TLR8 (1.00) TLR8CXCR4POLBHTTCYP1A2
SCHEMBL2343059 0.95 TLR8 (1.00) TLR8CXCR4POLBHTTCYP1A2
SCHEMBL6196399 0.92 CXCR4 (1.00) TLR8CXCR4POLBHTTCYP1A2
SCHEMBL6197634 0.90 CXCR4 (0.96) TLR8CXCR4POLBHTTCYP1A2
SCHEMBL14447553 0.90 CXCR4 (0.96) TLR8CXCR4POLBHTTCYP1A2
SCHEMBL1520381 0.88 POLB (1.00) TLR8CXCR4POLBHTTCYP1A2
SCHEMBL7164854 0.88 CXCR4 (0.93) TLR8CXCR4POLBHTTCYP1A2
SCHEMBL6199065 0.84 CXCR4 (0.85) TLR8CXCR4POLBHTTCYP1A2
SCHEMBL22844184 0.84 CXCR4 (0.84) TLR8CXCR4POLBHTTCYP1A2
SCHEMBL16512990 0.83 TLR8 (0.71) TLR8CXCR4POLBHTTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180282734-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF HEAD AND NECK CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-10-04 — — US claimed
EP-3368034-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF HEAD AND NECK CANCER Children's Hospital Medical Center (US) 2018-09-05 — — EP claimed
US-9855273-B2 Combination therapy for MDS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2018-01-02 — — US claimed
EP-2999470-B1 COMBINATION THERAPY FOR MDS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2017-08-16 — — EP claimed
WO-2017075054-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF HEAD AND NECK CANCER CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2017-05-04 — — WO claimed
US-20170087162-A1 COMBINATION THERAPY FOR MDS CHILDREN'S HOSPITAL MEDICAL CENTER 2017-03-30 — — US claimed
US-9504706-B2 Combination therapy for MDS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2016-11-29 — — US claimed
EP-2999470-A2 COMBINATION THERAPY FOR MDS Children's Hospital Medical Center (US) 2016-03-30 — — EP claimed
US-20160038529-A1 COMBINATION THERAPY FOR MDS CHILDREN'S HOSPITAL MEDICAL CENTER 2016-02-11 — — US claimed
US-9168257-B2 Combination therapy for MDS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2015-10-27 — — US claimed
US-20140350070-A1 Combination Therapy for MDS CHILDREN'S HOSPITAL MEDICAL CENTER 2014-11-27 — — US claimed
WO-2014190163-A2 COMBINATION THERAPY FOR MDS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2014-11-27 — — WO claimed
US-20210292843-A1 TREATMENT OF DISEASES ASSOCIATED WITH ACTIVATED IRAK NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-09-23 — — US disclosed
US-10640502-B2 Therapeutic targeting of interleukin-1 receptor-associated kinase 4 (IRAK4) in cancers characterized by rearrangements in the mixed lineage leukemia gene (MLL-r) NORTHWESTERN UNIVERSITY (US) 2020-05-05 — — US disclosed
US-10471139-B2 Toll-like receptor agonists THE UNIVERSITY OF KANSAS (US) 2019-11-12 — — US disclosed
EP-3532164-A1 TREATMENT OF DISEASES ASSOCIATED WITH ACTIVATED IRAK Children's Hospital Medical Center (US) 2019-09-04 — — EP disclosed
WO-2006074991-A1 NOVEL 2-AMINO BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS NEUROSEARCH A/S (DK) 2006-07-20 — — WO disclosed
US-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION 2005-10-20 — — US disclosed
EP-1487824-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-22 — — EP disclosed
WO-2003074515-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 — — 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-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors TIE1, TEK, KDR TLR8 2043/4885CXCR4 1139/4885POLB 420/4885
US-20170087162-A1 COMBINATION THERAPY FOR MDS MCL1, IRAK4, IRAK3 TLR8 640/4885CXCR4 797/4885POLB 3091/4885
US-20180282734-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF HEAD AND NECK CANCER IRAK1, IRAK4, IRAK2 TLR8 216/4885CXCR4 2012/4885POLB 1191/4885
US-20160038529-A1 COMBINATION THERAPY FOR MDS MCL1, IRAK4, IRAK3 TLR8 640/4885CXCR4 797/4885POLB 3091/4885
US-10471139-B2 Toll-like receptor agonists TLR1, TLR7, TLR8 TLR8 3/4885CXCR4 300/4885POLB 1271/4885
US-20140350070-A1 Combination Therapy for MDS MCL1, IRAK4, IRAK3 TLR8 640/4885CXCR4 797/4885POLB 3091/4885
US-10640502-B2 Therapeutic targeting of interleukin-1 receptor-associated kinase 4 (IRAK4) in cancers characterized by rearrangements in the mixed lineage leukemia gene (MLL-r) IRAK4, IRAK1, IRAK2 TLR8 283/4885CXCR4 335/4885POLB 3421/4885

“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.

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