SCHEMBL17682175

SCHEMBL17682175

Cn1c(=O)n(Cc2ccc(C(C)(O)C(F)(F)F)nc2)c(=O)c2c1ncn2CC1CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
ABCC8 Q09428 1/20 0.42
KCNJ11 Q14654 1/20 0.42
TRPA1 O75762 10/20 0.41
POLB P06746 1/20 0.41
HIF1A Q16665 1/20 0.41
MAPK1 P28482 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
ADORA2B P29275 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HTT P42858 1/20 0.37
UBE2N P61088 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MTHFD2 P13995 1/20 0.36

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
SCHEMBL18819561 0.97 KMT2A (0.41) KMT2AABCC8KCNJ11TRPA1POLB
SCHEMBL19601322 0.91 KMT2A (0.45) KMT2AABCC8KCNJ11TRPA1POLB
SCHEMBL18819720 0.85 TRPA1 (0.42) KMT2ATRPA1POLBHIF1ARXFP1
SCHEMBL17682192 0.85 MAPK1 (0.52) KMT2AMAPK1LMNASMN1; SMN2ADORA2B
SCHEMBL17682183 0.82 TRPA1 (0.42) KMT2AABCC8KCNJ11TRPA1POLB
SCHEMBL29429680 0.82 KMT2A (0.47) KMT2AABCC8KCNJ11TRPA1POLB
SCHEMBL17682179 0.82 KMT2A (0.47) KMT2AABCC8KCNJ11TRPA1POLB
SCHEMBL24611642 0.80 MAPK1 (0.46) KMT2AABCC8KCNJ11TRPA1POLB
SCHEMBL18819717 0.79 TRPA1 (0.41) KMT2AABCC8KCNJ11TRPA1POLB
SCHEMBL17682219 0.78 KMT2A (0.44) KMT2AABCC8KCNJ11TRPA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49128-E1 Hydroxyl purine compounds and applications thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2022-07-12 US disclosed
US-RE49128-E1 Hydroxyl purine compounds and applications thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2022-07-12 US disclosed
EP-3205652-B1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF GUANGDONG RAYNOVENT BIOTECH CO LTD (CN) 2022-03-09 EP disclosed
US-10098885-B2 Hydroxyl purine compounds and applications thereof GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-10-16 US disclosed
US-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-11-16 US disclosed
US-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-11-16 US disclosed
EP-3205652-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF Medshine Discovery Inc. (CN) 2017-08-16 EP disclosed
EP-3205652-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF Medshine Discovery Inc. (CN) 2017-08-16 EP disclosed
WO-2017071606-A1 MEDICAL USE OF HYDROXYL PURINE COMPOUND 南京明德新药研发股份有限公司 2017-05-04 WO disclosed
WO-2016054971-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF 南京明德新药研发股份有限公司 2016-04-14 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 (2 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-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF PNP, PDE2A, PDE7A KMT2A 3904/4885ABCC8 887/4885KCNJ11 3006/4885
US-10098885-B2 Hydroxyl purine compounds and applications thereof PNP, PDE2A, PDE7A KMT2A 3904/4885ABCC8 887/4885KCNJ11 3006/4885

“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.