SCHEMBL13661978

SCHEMBL13661978

CCc1cnc(N2CCOCC2)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
NUDT1 P36639 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
KHK P50053 1/20 0.41
PIK3CA P42336 3/20 0.41
PIK3R1 P27986 1/20 0.41
MTOR P42345 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KCNH2 Q12809 1/20 0.39
HRH4 Q9H3N8 1/20 0.39

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
SCHEMBL14375978 0.85 HRH3 (0.42) LMNACYP11B2ALDH1A1HPGDMEN1
SCHEMBL2366166 0.83 KCNH2 (0.46) MEN1KMT2ACYP1A2KCNH2HRH4
Hydrochloric Acid SCHEMBL2366075 0.81 KCNH2 (0.45) MEN1KMT2ACYP1A2KCNH2HRH4
SCHEMBL14376028 0.80 ALDH1A1 (0.45) CYP11B1CYP11B2ALDH1A1HPGDKHK
SCHEMBL19707132 0.79 LMNA (0.49) LMNAALDH1A1PIK3CAMEN1KMT2A
SCHEMBL13662110 0.78 IMPDH2 (0.39) NUDT1ALDH1A1HPGDKHKPIK3CA
SCHEMBL27829792 0.78 KCNH2 (0.40) LMNAALDH1A1HPGDMEN1KMT2A
SCHEMBL27848262 0.78 MEN1 (0.42) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL2144542 0.78 KDM4E (0.46) NUDT1ALDH1A1HPGDKHKPIK3CA
SCHEMBL21262656 0.78 KDM4E (0.47) LMNAALDH1A1HPGDKHKPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624229-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2017-04-18 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-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICAL, INC. (US) 2013-01-17 US disclosed
US-8309566-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2012-11-13 US disclosed
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2009-10-15 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 (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-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 LMNA 4306/4885NUDT1 344/4885CYP11B1 2340/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 LMNA 4084/4885NUDT1 573/4885CYP11B1 1737/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 LMNA 4066/4885NUDT1 530/4885CYP11B1 1810/4885

“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.