SCHEMBL3208957

SCHEMBL3208957

CN1CCN(c2ccc(Nc3nccc(Nc4cccc(CC#N)c4)n3)cc2C(F)(F)F)CC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 10/20 0.60
CDK2 P24941 10/20 0.60
CCNA1 P78396 10/20 0.60
CDK4 P11802 5/20 0.59
CCND3 P30281 5/20 0.59
GSK3B P49841 5/20 0.59
PIM1 P11309 4/20 0.59
JAK2 O60674 1/20 0.56
JAK3 P52333 1/20 0.56
MTOR P42345 3/20 0.55
TNIK Q9UKE5 1/20 0.55
PAK1 Q13153 1/20 0.53
AURKA O14965 1/20 0.53
CCNK O75909 1/20 0.53
SLC2A1 P11166 1/20 0.53
CDK12 Q9NYV4 1/20 0.53

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
Hydrochloric Acid SCHEMBL3205555 0.99 CCNA2 (0.59) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL3201117 0.95 CCNA2 (0.55) CCNA2CDK2CCNA1CDK4CCND3
Sulfuric Acid SCHEMBL3208098 0.95 CCNA2 (0.55) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL3210167 0.92 CCNA2 (0.55) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL3203546 0.89 PAK1 (0.66) JAK2JAK3TNIKPAK1
Hydrochloric Acid SCHEMBL3209167 0.88 PAK1 (0.65) JAK2JAK3TNIKPAK1
SCHEMBL13485402 0.88 JAK2 (0.73) JAK2JAK3TNIKPAK1
SCHEMBL14079526 0.86 TNIK (0.51) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL3210121 0.85 JAK2 (0.71) JAK2JAK3TNIKPAK1
SCHEMBL3210186 0.85 PAK1 (0.61) JAK2JAK3TNIKPAK1

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-20100029675-A1 Pyrimidine-2, 4-diamine JAK2 Kinase inhibiting anti-inflammation use TOLERO PHARMACEUTICALS, INC. 2010-02-04 US disclosed
US-20100029675-A1 Pyrimidine-2, 4-diamine JAK2 Kinase inhibiting anti-inflammation use TOLERO PHARMACEUTICALS, INC. 2010-02-04 US disclosed
US-20100029675-A1 Pyrimidine-2, 4-diamine JAK2 Kinase inhibiting anti-inflammation use TOLERO PHARMACEUTICALS, INC. 2010-02-04 US disclosed
WO-2010011349-A2 PYRIMIDINE-2,4-DIAMINE JAK2 KINASE INHIBITING ANTI-INFLAMMATION USE SUPERGEN, INC. (US) 2010-01-28 WO disclosed
WO-2010011349-A2 PYRIMIDINE-2,4-DIAMINE JAK2 KINASE INHIBITING ANTI-INFLAMMATION USE SUPERGEN, INC. (US) 2010-01-28 WO disclosed
US-20080214558-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS JAK2 KINASE INHIBITORS SUPERGEN, INC. (US) 2008-09-04 US disclosed
US-20080214558-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS JAK2 KINASE INHIBITORS SUPERGEN, INC. (US) 2008-09-04 US disclosed
US-20080214558-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS JAK2 KINASE INHIBITORS SUPERGEN, INC. (US) 2008-09-04 US disclosed
WO-2008106635-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS JAK2 KINASE INHIBITORS SUPERGEN, INC. (US) 2008-09-04 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 (2 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-20100029675-A1 Pyrimidine-2, 4-diamine JAK2 Kinase inhibiting anti-inflammation use JAK2, JAK1, IRAK4 CCNA2 876/4885CDK2 16/4885CCNA1 1698/4885
US-20080214558-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS JAK2 KINASE INHIBITORS JAK2, JAK1, JAK3 CCNA2 483/4885CDK2 6/4885CCNA1 866/4885

“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.