SCHEMBL15743968

SCHEMBL15743968

Cc1ccc(N2CC(C)OC(C)C2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
AOC3 Q16853 3/20 0.52
ALDH1A1 P00352 4/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TLR9 Q9NR96 1/20 0.43
TLR8 Q9NR97 1/20 0.43

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
SCHEMBL10034110 1.00 KMT2A (0.53) KMT2AAOC3ALDH1A1GAAKDM4E
SCHEMBL24018507 1.00 KMT2A (0.53) KMT2AAOC3ALDH1A1GAAKDM4E
SCHEMBL18436130 1.00 KMT2A (0.53) KMT2AAOC3ALDH1A1GAAKDM4E
SCHEMBL31182223 1.00 KMT2A (0.53) KMT2AAOC3ALDH1A1GAAKDM4E
SCHEMBL10154595 0.84 GRIN2D (0.49) AOC3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16472352 0.84 GRIN2D (0.49) AOC3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20469120 0.84 PIK3CA (0.51) KMT2AAOC3ALDH1A1GAACYP1A2
SCHEMBL14376036 0.82 NR3C2 (0.47) KMT2AAOC3ALDH1A1GAAKDM4E
SCHEMBL18436755 0.81 KMT2A (0.51) KMT2AAOC3ALDH1A1GAAKDM4E
SCHEMBL17803130 0.81 KMT2A (0.51) KMT2AAOC3ALDH1A1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3577110-B1 8-OXETAN-3-YL-3,8-DIAZABICYCLO[3.2.1]OCTAN-3-YL SUBSTITUTED COMPOUNDS AS HIV INHIBITORS GILEAD SCIENCES INC (US) 2021-04-21 EP disclosed
US-10669240-B2 5-substituted indazole-3-carboxamides and preparation and use thereof SAMUMED, LLC (US) 2020-06-02 US disclosed
EP-3124482-B1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2019-09-11 EP disclosed
WO-2018145021-A1 ATAZANAVIR (ATV) ANALOGUES FOR TREATING HIV INFECTIONS GILEAD SCIENCES, INC. (US) 2018-08-09 WO disclosed
US-20180127377-A1 5-SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2018-05-10 US disclosed
US-9745271-B2 5-substituted indazole-3-carboxamides and preparation and use thereof SAMUMED, LLC (US) 2017-08-29 US disclosed
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 US disclosed
US-9624229-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
EP-3124482-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-02-01 EP disclosed
US-8889706-B2 Soluble mTOR complexes and modulators thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2014-11-18 US disclosed
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2014-07-31 US disclosed
US-8735418-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2014-05-27 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 (4 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-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 KMT2A 404/4885AOC3 2427/4885ALDH1A1 3219/4885
US-20180127377-A1 5-SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF DYRK1A, WNT3, WNT1 KMT2A 2423/4885AOC3 4354/4885ALDH1A1 1932/4885
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS SMO, GLI1, SHH KMT2A 325/4885AOC3 3530/4885ALDH1A1 892/4885
US-10669240-B2 5-substituted indazole-3-carboxamides and preparation and use thereof DYRK1A, WNT3, WNT1 KMT2A 2423/4885AOC3 4354/4885ALDH1A1 1932/4885

“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.