SCHEMBL317014

SCHEMBL317014

[c]1nnc2ccccc2c1-c1cc2ccccc2nn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.41
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 5/20 0.35
HPGD P15428 3/20 0.35
GLA P06280 2/20 0.35
ACHE P22303 2/20 0.35
MAPT P10636 2/20 0.35
HSD17B10 Q99714 3/20 0.34
HIF1A Q16665 1/20 0.34
CYP1B1 Q16678 1/20 0.34
TERT O14746 1/20 0.33
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 2/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
PTBP1 P26599 1/20 0.31
RAB9A P51151 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
SCHEMBL4574523 0.79 RAB9A (0.42) GPR3KDM4EALDH1A1HPGDMAPT
SCHEMBL5483645 0.78 ALDH1A1 (0.55) GPR3KDM4EALDH1A1HPGDGLA
SCHEMBL31115164 0.78 ALDH1A1 (0.55) GPR3KDM4EALDH1A1HPGDGLA
SCHEMBL7110614 0.78 ALDH1A1 (0.37) GPR3KDM4EALDH1A1HPGDMAPT
SCHEMBL1090972 0.75 KDM4E (0.36) GPR3KDM4EALDH1A1HPGDGLA
SCHEMBL299834 0.74 NPC1 (0.42) GPR3KDM4EALDH1A1HPGDMAPT
SCHEMBL17048132 0.73 METAP2 (0.41) GPR3KDM4EALDH1A1RAB9ACYP2A6
SCHEMBL1725498 0.72 DHODH (0.40) GPR3
SCHEMBL5392739 0.72 LMNA (0.46) GPR3KDM4EALDH1A1HPGDGLA
SCHEMBL7631632 0.72 PIK3CD (0.36) GPR3ALDH1A1HPGDGLAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714244-B2 Substituted pyrido[4,3-d]pyrimidines as Wee-1 inhibitors ALMAC DISCOVERY LIMITED (GB) 2017-07-25 US disclosed
US-9434698-B2 Process for preparing antiviral compounds ABBVIE INC. (US) 2016-09-06 US disclosed
US-20160158377-A1 BCL-XL Inhibitory Compounds and Antibody Drug Conjugates Including the Same ABBVIE INC. (US) 2016-06-09 US disclosed
US-9345702-B2 Methods of treatment using selective Bcl-2 inhibitors ABBVIE INC. (US) 2016-05-24 US disclosed
US-20160106849-A1 FORMULATIONS OF PHENYL URACIL COMPOUNDS ABBVIE INC. 2016-04-21 US disclosed
US-20160060258-A1 2-AMINOPYRIDO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND THEIR USE AS WEE-1 INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2016-03-03 US disclosed
US-9095590-B2 Anti-infective agents and uses thereof ABBVIE INC. (US) 2015-08-04 US disclosed
US-20150191437-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS ABBVIE INC. (US) 2015-07-09 US disclosed
US-20150150870-A1 METHODS OF TREATMENT USING SELECTIVE BCL-2 INHIBITORS ABBVIE INC. 2015-06-04 US disclosed
US-8889675-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2014-11-18 US disclosed
EP-2203430-B1 N-PHENYL-DIOXO-HYDROPYRIMIDINES USEFUL AS HEPATITIS C VIRUS (HCV) INHIBITORS ABBOTT LAB (US) 2011-06-15 EP disclosed
WO-2011068944-A1 TETRAIONIC LIQUID SALTS AND METHODS OF USE THEREOF SIGMA-ALDRICH CO. (US) 2011-06-09 WO disclosed
US-20110070193-A1 Anti-Infective Agents and Uses Thereof ABBOTT LABORATORIES (US) 2011-03-24 US disclosed
US-20110036975-A1 IMIDAZOLIUM-BASED LIQUID SALTS AND METHODS OF USE THEREOF SIGMA-ALDRICH CO. (US) 2011-02-17 US disclosed
US-20110017908-A1 DICATIONIC LIQUID SALTS AND METHODS OF USE THEREOF SIGMA-ALDRICH CO. (US) 2011-01-27 US disclosed
WO-2011008915-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 WO disclosed
US-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 US disclosed
US-20110015172-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 US disclosed
WO-2011008830-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 WO disclosed
WO-2008074035-A1 HCV PROTEASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2008-06-19 WO 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 (10 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-20160060258-A1 2-AMINOPYRIDO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND THEIR USE AS WEE-1 INHIBITORS WEE1, WEE2, NME1 GPR3 2861/4885KDM4E 420/4885ALDH1A1 1226/4885
US-20110070193-A1 Anti-Infective Agents and Uses Thereof MPO, SERPINB1, ELANE GPR3 4776/4885KDM4E 4649/4885ALDH1A1 2117/4885
US-20160106849-A1 FORMULATIONS OF PHENYL URACIL COMPOUNDS UNG, UMPS, TYMP GPR3 4306/4885KDM4E 1166/4885ALDH1A1 490/4885
US-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES CDC7, MAP3K7, CDK1 GPR3 4428/4885KDM4E 1017/4885ALDH1A1 2908/4885
US-20110015172-A1 PYRROLOPYRAZINE INHIBITORS OF KINASES CDC7, CDK7, CDK17 GPR3 4339/4885KDM4E 1309/4885ALDH1A1 3421/4885
US-20150150870-A1 METHODS OF TREATMENT USING SELECTIVE BCL-2 INHIBITORS BCL2, BCL2L1, BCL2L10 GPR3 4262/4885KDM4E 2326/4885ALDH1A1 4772/4885
US-20110017908-A1 DICATIONIC LIQUID SALTS AND METHODS OF USE THEREOF SRMS, AQP4, SLC6A12 GPR3 4607/4885KDM4E 3164/4885ALDH1A1 3665/4885
US-20160158377-A1 BCL-XL Inhibitory Compounds and Antibody Drug Conjugates Including the Same BCL2, BCL2L10, BAX GPR3 3749/4885KDM4E 1090/4885ALDH1A1 2353/4885
US-20110036975-A1 IMIDAZOLIUM-BASED LIQUID SALTS AND METHODS OF USE THEREOF SRMS, AQP4, SLC6A12 GPR3 4583/4885KDM4E 3168/4885ALDH1A1 3524/4885
US-20150191437-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS HAVCR2, RNASE1, MAVS GPR3 4852/4885KDM4E 3729/4885ALDH1A1 2049/4885

“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.