Sugi Predict

Sugi Predict / Compounds / SCHEMBL803090

SCHEMBL803090

SCHEMBL803090

Cc1cc(N[C@@H]2C[C@@H](CO)[C@@H](C)C2)c2nc(-c3cccc4ccccc34)[nH]c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HTR2C P28335 2/20 0.33
▸ NAE1 Q13564 2/20 0.33
▸ UBA3 Q8TBC4 2/20 0.33
▸ CD38 P28907 1/20 0.32
▸ CHRNA1 P02708 1/20 0.32
▸ CHRNG P07510 1/20 0.32
▸ CHRNB1 P11230 1/20 0.32
▸ CHRNB2 P17787 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ CHRND Q07001 1/20 0.32
▸ HTT P42858 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
SCHEMBL18537997 1.00 CYP2C19 (0.39) CYP2C19KDM4ECYP1A2CYP3A4HTR2C
SCHEMBL802918 0.91 KDM4E (0.39) CYP2C19KDM4ECYP1A2CYP3A4HTR2C
SCHEMBL16155042 0.91 NAE1 (0.41) CYP2C19KDM4ECYP1A2CYP3A4HTR2C
SCHEMBL16155037 0.85 CYP2C19 (0.39) CYP2C19KDM4ECYP1A2CYP3A4NAE1
SCHEMBL18537999 0.79 NAE1 (0.50) NAE1UBA3
SCHEMBL803086 0.79 NAE1 (0.50) NAE1UBA3
SCHEMBL15007086 0.68 NAE1 (0.43) CYP2C19KDM4ECYP1A2CYP3A4NAE1
SCHEMBL783023 0.61 NAE1 (0.58) HTR2CNAE1UBA3
SCHEMBL14720050 0.61 NAE1 (0.45) CYP2C19KDM4ECYP1A2CYP3A4NAE1
SCHEMBL18527005 0.61 PI4KA (0.42) NAE1UBA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718788-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-08-01 — — US disclosed
US-9458108-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-10-04 — — US disclosed
US-20160039761-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-02-11 — — US disclosed
US-9150525-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-10-06 — — US disclosed
US-20150183753-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-02 — — US disclosed
US-8901136-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-12-02 — — US disclosed
US-8481550-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-07-09 — — US disclosed
US-20120071482-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-22 — — 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 (3 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-20150183753-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 CYP2C19 2582/4885KDM4E 1424/4885CYP1A2 952/4885
US-20120071482-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 CYP2C19 2582/4885KDM4E 1424/4885CYP1A2 952/4885
US-20160039761-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 CYP2C19 2582/4885KDM4E 1424/4885CYP1A2 952/4885

“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.