SCHEMBL3413033

SCHEMBL3413033

Cc1cc(N)ccc1N1CCN2CCC1CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
THRB P10828 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 2/20 0.49
NR4A1 P22736 1/20 0.49
PTK2B Q14289 1/20 0.49
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
ALOX15 P16050 1/20 0.45
GFER P55789 2/20 0.43
RAD52 P43351 1/20 0.43
HTT P42858 1/20 0.39
CHRNA7 P36544 5/20 0.38
CHRNB4 P30926 3/20 0.38
CHRNA3 P32297 3/20 0.38
HTR3A P46098 3/20 0.38
KCNH2 Q12809 2/20 0.38
CHRM4 P08173 1/20 0.38

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
SCHEMBL3412836 0.76 ALDH1A1 (0.45) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL2532555 0.73 CHRNA7 (0.47) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL14642921 0.71 MAPT (0.44) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL10126824 0.71 ALDH1A1 (0.69) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL17264116 0.70 MAPT (0.69) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL15358737 0.70 MAPT (0.81) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL25894589 0.70 MAPT (0.40) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL188287 0.70 MAPT (0.63) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL7848968 0.70 MAPT (0.47) ALDH1A1MAPTGAANR4A1KDM4E
SCHEMBL7037471 0.70 MAPT (0.46) ALDH1A1MAPTMEN1THRBKMT2A

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 9 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
EP-2265607-B1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS INC (US) 2016-12-14 EP 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
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
EP-2265607-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES Rigel Pharmaceuticals, Inc. (US) 2010-12-29 EP 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
WO-2009103032-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2009-08-20 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 (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 ALDH1A1 3219/4885MAPT 3560/4885MEN1 2898/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 ALDH1A1 3290/4885MAPT 3322/4885MEN1 2695/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 ALDH1A1 3315/4885MAPT 3238/4885MEN1 2578/4885

“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.