SCHEMBL1798669

SCHEMBL1798669

CC(O)[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 1/20 0.52
▸ PI4K2B Q8TCG2 1/20 0.52
▸ PI4K2A Q9BTU6 1/20 0.52
▸ PI4KB Q9UBF8 1/20 0.52
▸ PRMT5 O14744 4/20 0.45
▸ WDR77 Q9BQA1 4/20 0.45
▸ PDE4A P27815 1/20 0.44
▸ PDE4B Q07343 1/20 0.44
▸ PDE4C Q08493 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.43
▸ P2RX1 P51575 1/20 0.42
▸ P2RX3 P56373 1/20 0.42
▸ P2RX4 Q99571 1/20 0.42
▸ AMD1 P17707 2/20 0.40
▸ TYMP P19971 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ SLC29A1 Q99808 2/20 0.37

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
SCHEMBL11889979 1.00 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBPRMT5
SCHEMBL18009817 0.87 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBPRMT5
SCHEMBL21413864 0.87 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBPRMT5
SCHEMBL18026181 0.87 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBPRMT5
SCHEMBL14264199 0.83 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBPRMT5
SCHEMBL7900247 0.83 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBPRMT5
SCHEMBL18009783 0.82 PRMT5 (0.56) PI4KAPI4K2BPI4K2API4KBPRMT5
SCHEMBL22002265 0.82 PRMT5 (0.48) PRMT5WDR77
SCHEMBL18571880 0.82 PRMT5 (0.48) PRMT5WDR77
SCHEMBL21882960 0.81 PI4KA (0.77) PI4KAPI4K2BPI4K2API4KBRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070798-A1 Inhibitors of E1 activating enzymes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-11 — — US disclosed
US-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. 2018-03-29 — — US disclosed
US-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENIUM PHARMACEUTICALS, INC. 2017-03-16 — — US disclosed
US-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARM INC (US) 2016-07-07 — — US disclosed
US-20140256668-A9 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-11 — — US disclosed
US-20130338094-A1 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-12-19 — — US disclosed
US-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-06-09 — — US disclosed
US-7951810-B2 Substituted pyrrolo[2,3-d]pyrimidines as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 — — US disclosed
EP-1848718-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-10-31 — — EP disclosed
US-20060189636-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-24 — — US disclosed
WO-2006084281-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-10 — — 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 (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-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 PI4KA 1455/4885PI4K2B 2027/4885PI4K2A 1655/4885
US-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 PI4KA 1455/4885PI4K2B 2027/4885PI4K2A 1655/4885
US-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 PI4KA 1991/4885PI4K2B 2891/4885PI4K2A 2431/4885
US-20140256668-A9 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 PI4KA 1546/4885PI4K2B 704/4885PI4K2A 804/4885
US-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 PI4KA 1455/4885PI4K2B 2027/4885PI4K2A 1655/4885
US-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 PI4KA 1991/4885PI4K2B 2891/4885PI4K2A 2431/4885
US-20130338094-A1 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 PI4KA 1546/4885PI4K2B 704/4885PI4K2A 804/4885
US-20060189636-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 PI4KA 1991/4885PI4K2B 2891/4885PI4K2A 2431/4885

“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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