SCHEMBL13717980

SCHEMBL13717980

CN(C)c1ncnc2[nH]ncc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 2/20 1.00
▸ AURKA O14965 2/20 1.00
▸ CSF1R P07333 2/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ LRRK2 Q5S007 2/20 0.55
▸ RET P07949 1/20 0.55
▸ PI4KA P42356 1/20 0.55
▸ XDH P47989 1/20 0.55
▸ PI4K2B Q8TCG2 1/20 0.55
▸ PI4K2A Q9BTU6 1/20 0.55
▸ PI4KB Q9UBF8 1/20 0.55
▸ PDPK1 O15530 3/20 0.55
▸ HTT P42858 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP1A2 P05177 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ HPGDS O60760 1/20 0.44
▸ CDK2 P24941 2/20 0.42
▸ CHEK2 O96017 1/20 0.42
▸ HSP90AA1 P07900 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
SCHEMBL28649439 0.79 CHEK1 (0.65) CHEK1AURKACSF1RL3MBTL1LRRK2
SCHEMBL14347072 0.76 JAK3 (0.63) CHEK1AURKACSF1RL3MBTL1HPGDS
SCHEMBL9667930 0.75 CSF1R (0.65) CHEK1AURKACSF1RL3MBTL1HTT
SCHEMBL8117275 0.74 CSF1R (0.71) CHEK1AURKACSF1RL3MBTL1LRRK2
SCHEMBL2619226 0.74 RET (0.61) CHEK1AURKACSF1RL3MBTL1LRRK2
SCHEMBL17545980 0.73 CHEK1 (0.56) CHEK1AURKACSF1RL3MBTL1LRRK2
SCHEMBL14040850 0.73 CSF1R (1.00) CHEK1AURKACSF1RL3MBTL1LRRK2
Hydrochloric Acid SCHEMBL8888087 0.73 CSF1R (0.71) CHEK1AURKACSF1RL3MBTL1PDPK1
SCHEMBL17545975 0.73 CHEK1 (0.56) CHEK1AURKACSF1RL3MBTL1LRRK2
SCHEMBL17545887 0.71 CHEK1 (0.54) CHEK1AURKACSF1RL3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112368289-B C26-linked rapamycin analogues as MTOR inhibitors 锐新医药公司 2024-02-20 — — CN disclosed
CN-115916194-A Methods for delaying, preventing and treating acquired resistance to RAS inhibitors 锐新医药公司 2023-04-04 — — CN disclosed
US-20210401840-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS AG (CH) 2021-12-30 — — US disclosed
CN-113164485-A Substituted pyrazolopyrimidines and substituted purines and their use as inhibitors of ubiquitin-specific processing protease 1(USP1) KSQ治疗公司 2021-07-23 — — CN disclosed
US-11020399-B2 Intermediates useful in the synthesis of compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2021-06-01 — — US disclosed
CN-112771054-A C40-, C28-and C-32-linked rapamycin analogs as mTOR inhibitors 锐新医药公司 2021-05-07 — — CN disclosed
US-20210094975-A1 RAPAMYCIN ANALOGS AS MTOR INHIBITORS Revolution Medicines, Inc. 2021-04-01 — — US disclosed
CN-112368289-A C26-linked rapamycin analogs as MTOR inhibitors 锐新医药公司 2021-02-12 — — CN disclosed
CN-110770243-A Rapamycin analogs as MTOR inhibitors 锐新医药公司 2020-02-07 — — CN disclosed
US-20190282581-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS AG (CH) 2019-09-19 — — US disclosed
US-20190105324-A9 SUBSTITUTED CHROMENONES AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS AG (CH) 2019-04-11 — — US disclosed
US-10220035-B2 Compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2019-03-05 — — US disclosed
EP-2705029-B1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS S A (CH) 2018-10-24 — — EP disclosed
US-20180110783-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2018-04-26 — — US disclosed
US-9775841-B2 Compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2017-10-03 — — US disclosed
US-20150320752-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS AG (CH) 2015-11-12 — — US disclosed
EP-2705029-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES Rhizen Pharmaceuticals S.A. (CH) 2014-03-12 — — EP disclosed
WO-2012151525-A9 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2012-12-13 — — WO disclosed
US-20120289496-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2012-11-15 — — US disclosed
WO-2012151525-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2012-11-08 — — 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 (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-20210401840-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB CHEK1 213/4885AURKA 972/4885CSF1R 2530/4885
US-11020399-B2 Intermediates useful in the synthesis of compounds as modulators of protein kinases MAP4K2, MAP3K20, MAP3K1 CHEK1 172/4885AURKA 383/4885CSF1R 1718/4885
US-20150320752-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB CHEK1 213/4885AURKA 972/4885CSF1R 2530/4885
US-20120289496-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB CHEK1 213/4885AURKA 972/4885CSF1R 2530/4885
US-20190105324-A9 SUBSTITUTED CHROMENONES AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKAR2B CHEK1 227/4885AURKA 1007/4885CSF1R 2967/4885
US-10220035-B2 Compounds as modulators of protein kinases PRKCA, PRKCH, PRKCE CHEK1 232/4885AURKA 1207/4885CSF1R 2945/4885
US-20180110783-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB CHEK1 213/4885AURKA 972/4885CSF1R 2530/4885
US-20190282581-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB CHEK1 213/4885AURKA 972/4885CSF1R 2530/4885
US-20210094975-A1 RAPAMYCIN ANALOGS AS MTOR INHIBITORS MTOR, RICTOR, RPTOR CHEK1 748/4885AURKA 2517/4885CSF1R 2883/4885

“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.

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