SCHEMBL1799629

SCHEMBL1799629

CC1(C)O[C@@H]2[C@H](O1)[C@@H](COS(N)(=O)=O)O[C@H]2n1cnc2c(-c3cccc(-n4cccn4)c3)ncnc21

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.54
▸ PI4KA P42356 1/20 0.44
▸ PI4K2B Q8TCG2 1/20 0.44
▸ PI4K2A Q9BTU6 1/20 0.44
▸ PI4KB Q9UBF8 1/20 0.44
▸ P2RX1 P51575 1/20 0.44
▸ P2RX3 P56373 1/20 0.44
▸ P2RX4 Q99571 1/20 0.44
▸ DNPH1 O43598 11/20 0.42
▸ AMD1 P17707 2/20 0.39
▸ ATM Q13315 1/20 0.38
▸ UBA6 A0AVT1 1/20 0.37
▸ ATG7 O95352 1/20 0.37
▸ UBA7 P41226 1/20 0.37
▸ NAE1 Q13564 1/20 0.37
▸ UBA3 Q8TBC4 1/20 0.37
▸ SAE1 Q9UBE0 1/20 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
SCHEMBL1799838 0.88 RXFP1 (0.45) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL1798029 0.87 PI4KA (0.57) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL1797413 0.86 DNPH1 (0.58) DNPH1ATMUBA6ATG7UBA7
SCHEMBL12566864 0.80 BCHE (0.40) DNPH1ATMUBA6ATG7UBA7
SCHEMBL19689087 0.78 P2RX3 (0.57) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL19689077 0.78 DNPH1 (0.63) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL2294735 0.78 RXFP1 (0.70) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL16020541 0.78 RXFP1 (0.70) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL2292456 0.78 RXFP1 (0.86) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL1798431 0.78 RXFP1 (0.70) RXFP1PI4KAPI4K2BPI4K2API4KB

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 12 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
EP-1848718-B1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARM INC (US) 2012-08-01 — — EP 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 RXFP1 3880/4885PI4KA 1455/4885PI4K2B 2027/4885
US-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 RXFP1 3880/4885PI4KA 1455/4885PI4K2B 2027/4885
US-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 RXFP1 3167/4885PI4KA 1991/4885PI4K2B 2891/4885
US-20140256668-A9 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 RXFP1 1137/4885PI4KA 1546/4885PI4K2B 704/4885
US-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 RXFP1 3880/4885PI4KA 1455/4885PI4K2B 2027/4885
US-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 RXFP1 3167/4885PI4KA 1991/4885PI4K2B 2891/4885
US-20130338094-A1 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 RXFP1 1137/4885PI4KA 1546/4885PI4K2B 704/4885
US-20060189636-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 RXFP1 3167/4885PI4KA 1991/4885PI4K2B 2891/4885

“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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