Sugi Predict

Sugi Predict / Compounds / SCHEMBL1798740

SCHEMBL1798740

SCHEMBL1798740

CC1(C)O[C@@H]2[C@@H](CO)C[C@@H](n3cnc4c(C#Cc5ccccc5)ncnc43)[C@@H]2O1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 1/20 0.41
▸ PI4K2B Q8TCG2 1/20 0.41
▸ PI4K2A Q9BTU6 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.41
▸ AHCY P23526 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ ADORA3 P0DMS8 3/20 0.37
▸ ADORA2A P29274 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
SCHEMBL17889871 1.00 PI4KA (0.41) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL1798372 0.81 PI4KA (0.65) PI4KAPI4K2BPI4K2API4KBADORA2B
SCHEMBL11890143 0.81 PI4KA (0.65) PI4KAPI4K2BPI4K2API4KBADORA2B
SCHEMBL14520301 0.80 AHCY (0.64) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL22883255 0.80 AHCY (0.64) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL5319686 0.80 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL31756504 0.80 AHCY (0.64) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL31756651 0.80 AHCY (0.64) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL17889809 0.80 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL1799630 0.80 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBAHCY

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 7 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-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
US-20060189636-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-24 — — 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 (6 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-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-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.