SCHEMBL870860

SCHEMBL870860

Nc1ncnc2[nH]c(Cc3ccccc3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 3/20 0.52
PI4K2B Q8TCG2 3/20 0.52
PI4K2A Q9BTU6 3/20 0.52
PI4KB Q9UBF8 3/20 0.52
MAP4K4 O95819 1/20 0.49
GAA P10253 3/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PNP P00491 1/20 0.43
ADORA2A P29274 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ADORA1 P30542 1/20 0.43
CDC7 O00311 1/20 0.42
DBF4 Q9UBU7 1/20 0.42

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
SCHEMBL3923325 0.81 GAA (0.45) GAAKDM4EMAPTPKMTDP1
SCHEMBL5045443 0.80 HSP90AA1 (0.53) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL870861 0.80 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBGAA
SCHEMBL13791538 0.79 PI4KA (0.40) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL11980433 0.79 GAA (0.46) GAAKDM4EMAPTPKMTDP1
SCHEMBL16486536 0.79 MAP4K4 (0.41) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL3965133 0.78 MAP4K4 (0.42) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL16487299 0.78 TAAR1 (0.44) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL22347068 0.75 APEX1 (0.38) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL5066797 0.75 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12600725-B2 Selective GRP94 inhibitors and uses thereof MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2026-04-14 US disclosed
US-20230123747-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2023-04-20 US disclosed
US-20230123747-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2023-04-20 US disclosed
US-11267816-B2 Selective Grp94 inhibitors and uses thereof MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2022-03-08 US disclosed
EP-3737683-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2020-11-18 EP disclosed
US-20200338084-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2020-10-29 US disclosed
US-20200338084-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2020-10-29 US disclosed
US-20200102312-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER 2020-04-02 US disclosed
US-10421758-B2 Selective Grp94 inhibitors and uses thereof MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2019-09-24 US disclosed
WO-2019136093-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2019-07-11 WO disclosed
EP-2254880-A2 MACROCYCLIC PRODRUG COMPOUNDS USEFUL AS THERAPEUTICS Nexgenix Pharmaceuticals (US) 2010-12-01 EP disclosed
EP-2136799-A1 MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 Universite De Strasbourg (FR) 2009-12-30 EP disclosed
CN-101588799-A Macrocyclic compounds useful as kinase inhibitors and HSP90 inhibitors UNIV STRASBOURG (FR) 2009-11-25 CN disclosed
WO-2009105755-A2 MACROCYCLIC PRODRUG COMPOUNDS USEFUL AS THERAPEUTICS NEXGENIX PHARMACEUTICALS (US) 2009-08-27 WO disclosed
CN-101505762-A Orally active purinyl inhibitors of heat shock protein 90 CONFORMA THERAPEUTICS CORP (US) 2009-08-12 CN disclosed
EP-1962863-A2 ORALLY ACTIVE PURINE-BASED INHIBITORS OF HEAT SHOCK PROTEIN 90 Conforma Therapeutics Corporation (US) 2008-09-03 EP disclosed
US-20080146545-A1 Macrocyclic compounds useful as inhibitors of kinases and HSP90 UNIVERSITE DE STRASBOURG (FR) 2008-06-19 US disclosed
WO-2008021213-A1 MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 WINSSINGER NICOLAS (FR) 2008-02-21 WO disclosed
WO-2007075572-A2 ORALLY ACTIVE PURINE-BASED INHIBITORS OF HEAT SHOCK PROTEIN 90 CONFORMA THERAPEUTICS CORPORATION (US) 2007-07-05 WO disclosed
US-20070129334-A1 Orally Active Purine-Based Inhibitors of Heat Shock Protein 90 CONFORMA THERAPEUTICS CORPORATION (US) 2007-06-07 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 (8 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-10421758-B2 Selective Grp94 inhibitors and uses thereof HSP90B1, HSP90AB2P, HSPE1 PI4KA 1654/4885PI4K2B 2005/4885PI4K2A 2260/4885
US-20070129334-A1 Orally Active Purine-Based Inhibitors of Heat Shock Protein 90 HSP90AB1, HSP90AA1, HSP90AB2P PI4KA 2175/4885PI4K2B 3080/4885PI4K2A 2945/4885
US-20080146545-A1 Macrocyclic compounds useful as inhibitors of kinases and HSP90 HSP90AB1, HSP90AA1, HSP90AB2P PI4KA 86/4885PI4K2B 209/4885PI4K2A 131/4885
US-11267816-B2 Selective Grp94 inhibitors and uses thereof HSP90B1, HSP90AB2P, HSPE1 PI4KA 1654/4885PI4K2B 2005/4885PI4K2A 2260/4885
US-12600725-B2 Selective GRP94 inhibitors and uses thereof GRPR, HSPB1, HSP90AB2P PI4KA 3123/4885PI4K2B 3044/4885PI4K2A 3327/4885
US-20200102312-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF HSP90B1, HSP90AB2P, HSPE1 PI4KA 1654/4885PI4K2B 2005/4885PI4K2A 2260/4885
US-20230123747-A1 SELECTIVE GRP94 INHIBITORS AND USES THEREOF HSP90B1, HSP90AB2P, HSPE1 PI4KA 1654/4885PI4K2B 2005/4885PI4K2A 2260/4885
US-20200338084-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF ACP1, PTPRCAP, PTPRO PI4KA 148/4885PI4K2B 134/4885PI4K2A 144/4885

“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.