SCHEMBL5890773

SCHEMBL5890773

CN(Cc1cccnc1)C(=O)OC(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.63
LMNA P02545 1/20 0.53
CHRNB2 P17787 2/20 0.53
CHRNA4 P43681 2/20 0.53
CLK1 P49759 1/20 0.49
NAMPT P43490 1/20 0.46
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
HTR2C P28335 1/20 0.46
SLC6A4 P31645 1/20 0.46
CYP3A4 P08684 2/20 0.46
NAPRT Q6XQN6 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CHRNA7 P36544 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 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
SCHEMBL30491555 0.86 RIPK1 (0.47) RIPK1LMNACHRNB2CHRNA4CLK1
SCHEMBL1926144 0.86 RIPK1 (0.54) RIPK1LMNACHRNB2CHRNA4CLK1
SCHEMBL7332333 0.84 RIPK1 (0.51) RIPK1LMNACHRNB2CHRNA4NAMPT
SCHEMBL12277668 0.84 RIPK1 (0.59) RIPK1LMNACHRNB2CHRNA4CLK1
SCHEMBL22938859 0.83 RIPK1 (0.48) RIPK1LMNACHRNB2CHRNA4CLK1
SCHEMBL7433171 0.82 MMP13 (0.48) RIPK1NAMPTHTR2CSLC6A4RAB9A
SCHEMBL7190668 0.82 RIPK1 (0.57) RIPK1CHRNB2CHRNA4HPGDHTR2C
SCHEMBL7324763 0.81 SSTR4 (0.52) RIPK1LMNACHRNB2CHRNA4NAMPT
SCHEMBL27875045 0.81 KMT2A (0.48) RIPK1LMNACHRNB2CHRNA4ALDH1A1
SCHEMBL2285569 0.81 RIPK1 (0.57) RIPK1LMNACHRNB2CHRNA4CLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240002415-A1 PHOSPHINE REAGENTS FOR AZINE FLUOROALKYLATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2024-01-04 US disclosed
CN-116981459-A Heterocyclic derivatives as janus kinase inhibitors 奇斯药制品公司 2023-10-31 CN disclosed
US-11780861-B2 Phosphine reagents for azine fluoroalkylation COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2023-10-10 US disclosed
EP-4232025-A1 PHOSPHINE REAGENTS FOR AZINE FLUOROALKYLATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2023-08-30 EP disclosed
US-20220380394-A1 PHOSPHINE REAGENTS FOR AZINE FLUOROALKYLATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2022-12-01 US disclosed
WO-2022087129-A9 PHOSPHINE REAGENTS FOR AZINE FLUOROALKYLATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2022-05-27 WO disclosed
WO-2022087129-A1 PHOSPHINE REAGENTS FOR AZINE FLUOROALKYLATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2022-04-28 WO disclosed
US-7282608-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2007-10-16 US disclosed
US-7282608-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2007-10-16 US disclosed
US-7064120-B2 Tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2006-06-20 US disclosed
EP-0486948-B1 Retroviral protease inhibiting compounds ABBOTT LAB (US) 2000-10-04 EP disclosed
EP-0997459-A1 Intermediates for preparing retroviral protease inhibiting compounds Abbott Laboratories (US) 2000-05-03 EP disclosed
US-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 US disclosed
US-5648497-A Retroviral protease inhibiting compounds ABBOTT LABORAOTRIES (US) 1997-07-15 US disclosed
US-5616714-A PYRIDYL, THIAZOLYL-SUBSTITUTED AMINO ACID DERIVATIVES ABBOTT LABORATORIES (US) 1997-04-01 US disclosed
US-5597926-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-01-28 US disclosed
US-5554783-A (2R, 3R, 4S, 5S)-3-ACETOXY-2,5-BIS/BENZYLOXYCARBONYLAMINO/ -4-BROMO-1,5-DIPHENYLHEXANE ABBOTT LABORATORIES (US) 1996-09-10 US disclosed
US-5541334-A TREATING HIV ABBOTT LABORATORIES (US) 1996-07-30 US disclosed
EP-0609625-A1 Inhibitors of HIV protease useful for the treatment of AIDS ELI LILLY AND COMPANY (US) 1994-08-10 EP disclosed
EP-0486948-A2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1992-05-27 EP 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-20220380394-A1 PHOSPHINE REAGENTS FOR AZINE FLUOROALKYLATION PTPN3, PHOSPHO1, SKIC3 RIPK1 1238/4885LMNA 3787/4885CHRNB2 3936/4885
US-20240002415-A1 PHOSPHINE REAGENTS FOR AZINE FLUOROALKYLATION PTPN3, PHOSPHO1, SKIC3 RIPK1 1238/4885LMNA 3787/4885CHRNB2 3936/4885
US-11780861-B2 Phosphine reagents for azine fluoroalkylation PTPN3, PHOSPHO1, SKIC3 RIPK1 1238/4885LMNA 3787/4885CHRNB2 3936/4885

“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.