Sugi Predict

Sugi Predict / Compounds / SCHEMBL783904

SCHEMBL783904

SCHEMBL783904

Cc1nc(Cl)nc(N[C@H]2CCc3ccccc32)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PFKFB3 Q16875 7/20 0.49
▸ FADS1 O60427 1/20 0.49
▸ PDPK1 O15530 1/20 0.49
▸ IDH1 O75874 2/20 0.43
▸ P2RX7 Q99572 2/20 0.43
▸ MAOA P21397 2/20 0.43
▸ MAOB P27338 2/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ BCHE P06276 1/20 0.43
▸ ADRA2B P18089 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ NSD2 O96028 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP3A4 P08684 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
SCHEMBL782435 0.90 FADS1 (0.55) PFKFB3FADS1PDPK1P2RX7MAOA
SCHEMBL20511289 0.90 FADS1 (0.55) PFKFB3FADS1PDPK1P2RX7MAOA
SCHEMBL6391093 0.84 PDPK1 (0.49) PFKFB3FADS1PDPK1IDH1MAOA
SCHEMBL599646 0.84 PDPK1 (0.49) PFKFB3FADS1PDPK1IDH1MAOA
SCHEMBL1976205 0.82 PFKFB3 (0.57) PFKFB3ADRA2BADRA2CADRA1A
SCHEMBL27783592 0.80 FADS1 (0.50) FADS1PDPK1IDH1P2RX7ROCK1
SCHEMBL782718 0.77 PFKFB3 (0.53) PFKFB3FADS1PDPK1MAOAMAOB
SCHEMBL21524773 0.76 PFKFB3 (0.52) PFKFB3ADRA2BADRA2CADRA1A
SCHEMBL783640 0.74 NAE1 (0.49) FADS1ROCK1
SCHEMBL599373 0.71 PDPK1 (0.53) FADS1PDPK1P2RX7MAOAMAOB

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 14 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-20170050935-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-23 — — 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-20140303193-A9 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-09 — — US disclosed
US-20130345242-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-12-26 — — 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
US-8008307-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-30 — — US disclosed
EP-2049491-B1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARM INC (US) 2010-10-20 — — EP disclosed
US-20080051404-A1 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-28 — — 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 (7 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 PFKFB3 1882/4885FADS1 675/4885PDPK1 248/4885
US-20120071482-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 PFKFB3 1882/4885FADS1 675/4885PDPK1 248/4885
US-20130345242-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 PFKFB3 1882/4885FADS1 675/4885PDPK1 248/4885
US-20080051404-A1 Heteroaryl compounds useful as inhibitors of E1 activating enzymes RCE1, ECE1, UBE2E1 PFKFB3 1882/4885FADS1 675/4885PDPK1 248/4885
US-20140303193-A9 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 PFKFB3 1882/4885FADS1 675/4885PDPK1 248/4885
US-20170050935-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 PFKFB3 1882/4885FADS1 675/4885PDPK1 248/4885
US-20160039761-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 PFKFB3 1882/4885FADS1 675/4885PDPK1 248/4885

“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.