SCHEMBL193515

SCHEMBL193515

c1ccc2c(c1)CC[C@@H]2Nc1ncnc2[nH]ccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.57
RPS6KB1 P23443 3/20 0.57
EGFR P00533 1/20 0.57
HPGDS O60760 1/20 0.56
AURKB Q96GD4 1/20 0.50
IRAK4 Q9NWZ3 1/20 0.49
TTBK1 Q5TCY1 2/20 0.48
TTBK2 Q6IQ55 2/20 0.48
JAK2 O60674 3/20 0.47
JAK1 P23458 3/20 0.47
TYK2 P29597 3/20 0.47
JAK3 P52333 3/20 0.47
BMX P51813 1/20 0.47
NAE1 Q13564 3/20 0.46
UBA3 Q8TBC4 2/20 0.46
CA2 P00918 3/20 0.45
GRK5 P34947 1/20 0.45
CSNK1A1 P48729 1/20 0.45
UBA6 A0AVT1 1/20 0.45
NEDD8 Q15843 1/20 0.45

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
SCHEMBL6746641 1.00 AURKA (0.57) AURKARPS6KB1EGFRHPGDSAURKB
SCHEMBL8930214 0.93 AURKA (0.59) AURKARPS6KB1EGFRHPGDSAURKB
Hydrochloric Acid SCHEMBL8929656 0.91 AURKA (0.58) AURKARPS6KB1EGFRHPGDSAURKB
SCHEMBL8929331 0.81 HPGDS (0.48) AURKARPS6KB1EGFRHPGDSAURKB
SCHEMBL22524329 0.81 AURKA (0.56) AURKARPS6KB1EGFRAURKBJAK2
SCHEMBL22524331 0.81 AURKA (0.56) AURKARPS6KB1EGFRAURKBJAK2
SCHEMBL9038194 0.80 EGFR (0.67) AURKARPS6KB1EGFRAURKBNAE1
SCHEMBL19010748 0.80 FADS1 (0.45) AURKARPS6KB1EGFRCA2CA1
Hydrochloric Acid SCHEMBL8929839 0.80 HPGDS (0.47) AURKARPS6KB1EGFRHPGDSAURKB
SCHEMBL8929835 0.80 HPGDS (0.63) HPGDSIRAK4TTBK1TTBK2JAK1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116178376-A Synthesis method of Pevonedistit intermediate 山东莱福科技发展有限公司 2023-05-30 CN disclosed
US-20210070798-A1 Inhibitors of E1 activating enzymes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-11 US disclosed
US-20190255052-A1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-08-22 US disclosed
US-20190255052-A1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-08-22 US disclosed
WO-2018054891-A1 COMPOUNDS AND COMBINATIONS THEREOF FOR PREVENTING AND/OR TREATING HBV AND/OR HDV INFECTIONS RUPRECHT-KARLS-UNIVERSITÄT (DE) 2018-03-29 WO disclosed
US-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. 2018-03-29 US disclosed
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. 2017-05-18 US disclosed
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. 2017-05-18 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
EP-1989206-B1 INHIBITORS OF E1 ACTIVATING ENZYME MILLENNIUM PHARM INC (US) 2012-07-04 EP disclosed
US-8207177-B2 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
US-8207177-B2 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
EP-2402334-A1 Inhibitors of E1 Activating Enzymes Millennium Pharmaceuticals, Inc. (US) 2012-01-04 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
US-20070191293-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-16 US disclosed
US-20070191293-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-16 US disclosed
US-20070191293-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-16 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 (9 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 AURKA 1525/4885RPS6KB1 330/4885EGFR 2779/4885
US-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 AURKA 1525/4885RPS6KB1 330/4885EGFR 2779/4885
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 AURKA 1673/4885RPS6KB1 440/4885EGFR 1722/4885
US-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 AURKA 1673/4885RPS6KB1 440/4885EGFR 1722/4885
US-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 AURKA 1525/4885RPS6KB1 330/4885EGFR 2779/4885
US-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 AURKA 1673/4885RPS6KB1 440/4885EGFR 1722/4885
US-20190255052-A1 Inhibitors of E1 Activating Enzymes ECE1, RNASE1, RCE1 AURKA 1673/4885RPS6KB1 440/4885EGFR 1722/4885
US-20060189636-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 AURKA 1673/4885RPS6KB1 440/4885EGFR 1722/4885
US-20070191293-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 AURKA 1673/4885RPS6KB1 440/4885EGFR 1722/4885

“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.