SCHEMBL786016

SCHEMBL786016

Clc1nc(Cl)c2ncn(C3CCCCC3)c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.50
PI4KA P42356 3/20 0.50
PI4K2B Q8TCG2 3/20 0.50
PI4K2A Q9BTU6 3/20 0.50
PI4KB Q9UBF8 3/20 0.50
ADORA3 P0DMS8 7/20 0.48
ADORA1 P30542 7/20 0.48
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CTSL P07711 3/20 0.46
CTSS P25774 1/20 0.46
CTSB P07858 1/20 0.46
YTHDC1 Q96MU7 1/20 0.45
ADORA2B P29275 2/20 0.44
CDK1 P06493 1/20 0.43
GRIA1 P42261 1/20 0.43
GRIA2 P42262 1/20 0.43
GRIA3 P42263 1/20 0.43
GRIA4 P48058 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL30584024 1.00 ADORA2A (0.50) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL30332114 0.98 ADORA2A (0.49) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL786455 0.98 ADORA2A (0.49) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL16714635 0.95 ADORA2A (0.49) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL30332447 0.92 LMNA (0.50) ADORA2AADORA3ADORA1LMNATP53
SCHEMBL786767 0.92 LMNA (0.50) ADORA2AADORA3ADORA1LMNATP53
Diaminooctane SCHEMBL6920367 0.88 FLT3 (0.46) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL29602218 0.85 YTHDC1 (0.49) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL30677364 0.85 LMNA (0.48) ADORA2AADORA3ADORA1LMNATP53
SCHEMBL11961123 0.85 LMNA (0.48) ADORA2AADORA3ADORA1LMNATP53

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
CN-117777134-A Polycyclic compounds as MAT2A inhibitors 艾立康药业股份有限公司 2024-03-29 CN disclosed
CN-116425751-B Polycyclic compounds as MAT2A inhibitors 艾立康药业股份有限公司 2024-01-23 CN disclosed
CN-116425751-A Polycyclic compounds as MAT2A inhibitors 艾立康药业股份有限公司 2023-07-14 CN disclosed
EP-2438068-B1 SUBSTITUTED 6-(2-HYDROXYBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2017-03-01 EP disclosed
US-9023857-B2 Substituted 6-(2-aminobenzylamino)purine derivatives, their use as medicaments and preparations containing these compounds UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2015-05-05 US disclosed
EP-2391626-B1 SUBSTITUTED 6-(2-AMINOBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND PREPARATIONS CONTAINING THESE COMPOUNDS Univerzita Palackého v Olomouci (CZ) 2014-10-01 EP disclosed
US-8492391-B2 Substituted 6-(2-hydroxybenzylamino)purine derivatives, their use as medicaments and compositions containing these derivatives UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2013-07-23 US disclosed
EP-2438068-A1 SUBSTITUTED 6-(2-HYDROXYBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2012-04-11 EP disclosed
US-20120070512-A1 Substituted 6-(2-hydroxybenzylamino)purine Derivatives, Their Use as Medicaments and Compositions Containing These Derivatives BIOPATTERNS, S.R.O (CZ) 2012-03-22 US disclosed
EP-2391626-A2 SUBSTITUTED 6-(2-AMINOBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND PREPARATIONS CONTAINING THESE COMPOUNDS Univerzita Palackého v Olomouci (CZ) 2011-12-07 EP disclosed
US-20080214541-A1 COMPOSITIONS AND METHODS FOR INDUCING OSTEOGENESIS IRM LLC (BM) 2008-09-04 US disclosed
US-20080214541-A1 COMPOSITIONS AND METHODS FOR INDUCING OSTEOGENESIS IRM LLC (BM) 2008-09-04 US disclosed
US-7273864-B2 Compositions and methods for inducing osteogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2007-09-25 US disclosed
US-7273864-B2 Compositions and methods for inducing osteogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2007-09-25 US disclosed
US-7273864-B2 Compositions and methods for inducing osteogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2007-09-25 US disclosed
EP-1556129-A2 COMPOSITIONS AND METHODS FOR INDUCING OSTEOGENESIS IRM LLC (BM) 2005-07-27 EP disclosed
US-20040157864-A1 Compositions and methods for inducing osteogenesis IRM LLC (BM) 2004-08-12 US disclosed
WO-2004035132-A2 COMPOSITIONS AND METHODS FOR INDUCING OSTEOGENESIS IRM LLC (BM) 2004-04-29 WO disclosed
US-4201860-A BRONCHODILATORS BRISTOL-MYERS COMPANY (US) 1980-05-06 US disclosed
US-4172829-A 2,9-Disubstituted adenine derivatives and their use as non-adrenergic bronchodilators BRISTOL-MYERS COMPANY (US) 1979-10-30 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 (3 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-20040157864-A1 Compositions and methods for inducing osteogenesis BMP2, BMP4, BMP6 ADORA2A 2423/4885PI4KA 1938/4885PI4K2B 1909/4885
US-20080214541-A1 COMPOSITIONS AND METHODS FOR INDUCING OSTEOGENESIS BMP2, BMP4, BMP6 ADORA2A 2423/4885PI4KA 1938/4885PI4K2B 1909/4885
US-20120070512-A1 Substituted 6-(2-hydroxybenzylamino)purine Derivatives, Their Use as Medicaments and Compositions Containing These Derivatives CDK6, CCNI, CDK2 ADORA2A 95/4885PI4KA 586/4885PI4K2B 528/4885

“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.