SCHEMBL4569753

SCHEMBL4569753

CC(C)(C)c1ncnc2c1ncn2C(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 7/20 0.64
PI4K2B Q8TCG2 7/20 0.64
PI4K2A Q9BTU6 7/20 0.64
PI4KB Q9UBF8 7/20 0.64
ADORA2A P29274 4/20 0.34
ADORA1 P30542 4/20 0.34
YTHDC1 Q96MU7 1/20 0.33
ADORA2B P29275 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
SRC P12931 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPK1 P28482 1/20 0.31
LCK P06239 1/20 0.31
KDR P35968 1/20 0.31
TEK Q02763 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
SCHEMBL14356547 0.79 PI4KA (0.66) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL179252 0.79 ADORA1 (0.56) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL21126195 0.78 PI4KA (0.64) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL10248598 0.78 PI4KA (0.64) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL5021593 0.78 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL12775439 0.75 ADORA2A (0.60) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL12775281 0.75 ADORA2A (0.60) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL10149296 0.75 PI4KA (0.60) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL12194499 0.75 PI4KA (0.60) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL12194505 0.75 PI4KA (0.60) PI4KAPI4K2BPI4K2API4KBADORA2A

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-20230250089-A1 MAP4K3 SMALL MOLECULE DRUG INHIBITORS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-08-10 US disclosed
US-20230250089-A1 MAP4K3 SMALL MOLECULE DRUG INHIBITORS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-08-10 US disclosed
US-20230203084-A1 SENSITIVE OLIGONUCLEOTIDE SYNTHESIS USING SULFUR-BASED FUNCTIONS AS PROTECTING GROUPS AND LINKERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-06-29 US disclosed
US-20230203084-A1 SENSITIVE OLIGONUCLEOTIDE SYNTHESIS USING SULFUR-BASED FUNCTIONS AS PROTECTING GROUPS AND LINKERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-06-29 US disclosed
US-20210032281-A1 SENSITIVE OLIGONUCLEOTIDE SYNTHESIS USING SULFUR-BASED FUNCTIONS AS PROTECTING GROUPS AND LINKERS FANG SHIYUE (US) 2021-02-04 US disclosed
US-8648086-B2 5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors ASCEPION PHARMACEUTICALS, INC. (CN) 2014-02-11 US disclosed
US-8648086-B2 5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors ASCEPION PHARMACEUTICALS, INC. (CN) 2014-02-11 US disclosed
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 US disclosed
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 US disclosed
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 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 (5 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-20210032281-A1 SENSITIVE OLIGONUCLEOTIDE SYNTHESIS USING SULFUR-BASED FUNCTIONS AS PROTECTING GROUPS AND LINKERS RNGTT, MTAP, RNMT PI4KA 2540/4885PI4K2B 1689/4885PI4K2A 2004/4885
US-20230250089-A1 MAP4K3 SMALL MOLECULE DRUG INHIBITORS AND METHODS OF USE THEREOF MAP4K3, MAP3K4, MAP3K3 PI4KA 211/4885PI4K2B 269/4885PI4K2A 327/4885
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS FLT3, CSF1R, EPHA2 PI4KA 438/4885PI4K2B 488/4885PI4K2A 722/4885
US-20230203084-A1 SENSITIVE OLIGONUCLEOTIDE SYNTHESIS USING SULFUR-BASED FUNCTIONS AS PROTECTING GROUPS AND LINKERS RNGTT, MTAP, RNMT PI4KA 2540/4885PI4K2B 1689/4885PI4K2A 2004/4885
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK2, CDK1, CDK3 PI4KA 269/4885PI4K2B 360/4885PI4K2A 408/4885

“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.