SCHEMBL3209512

SCHEMBL3209512

CN1CCN(C(=O)c2ccc(Nc3nccc(Nc4cccc(CC#N)c4)n3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.51
JAK3 P52333 2/20 0.51
EGFR P00533 2/20 0.51
NTRK1 P04629 2/20 0.50
CDK2 P24941 2/20 0.48
CCNT1 O60563 1/20 0.48
CCNE1 P24864 1/20 0.48
CDK9 P50750 1/20 0.48
CDK1 P06493 1/20 0.47
PAK1 Q13153 3/20 0.46
TNIK Q9UKE5 1/20 0.46
AURKA O14965 3/20 0.46
AURKB Q96GD4 1/20 0.46
KDR P35968 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
BRD4 O60885 1/20 0.45
ABL1 P00519 1/20 0.45
PDGFRB P09619 1/20 0.45
KIT P10721 1/20 0.45

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
SCHEMBL3200779 0.87 IKBKB (0.47) JAK2JAK3EGFRCDK2AURKA
SCHEMBL3210121 0.85 JAK2 (0.71) JAK2JAK3EGFRPAK1TNIK
SCHEMBL3210195 0.81 JAK2 (0.55) JAK2JAK3EGFRPAK1TNIK
SCHEMBL13485402 0.81 JAK2 (0.73) JAK2JAK3EGFRPAK1TNIK
SCHEMBL3203546 0.80 PAK1 (0.66) JAK2JAK3EGFRPAK1TNIK
SCHEMBL3026944 0.79 LRRK2 (0.57) JAK2JAK3NTRK1CDK2CCNT1
Sulfuric Acid SCHEMBL3209435 0.79 PAK1 (0.61) JAK2JAK3EGFRPAK1TNIK
SCHEMBL3210186 0.79 PAK1 (0.61) JAK2JAK3EGFRPAK1TNIK
Hydrochloric Acid SCHEMBL3209167 0.79 PAK1 (0.65) JAK2JAK3EGFRPAK1TNIK
SCHEMBL3208957 0.78 CCNA2 (0.60) JAK2JAK3CDK2PAK1TNIK

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 7 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
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

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 JAK2 1/4885JAK3 5/4885EGFR 496/4885
US-20080214558-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS JAK2 KINASE INHIBITORS JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885EGFR 442/4885

“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.