SCHEMBL3211911

SCHEMBL3211911

CN1CCN(C(=O)c2ccc(Nc3nccc(Nc4ccc(F)c(Cl)c4)n3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.53
BRD4 O60885 1/20 0.52
CDK2 P24941 4/20 0.51
CCNT1 O60563 1/20 0.51
CCNE1 P24864 1/20 0.51
CDK9 P50750 1/20 0.51
CDK1 P06493 3/20 0.51
SRC P12931 4/20 0.50
PDGFRB P09619 4/20 0.50
EGFR P00533 2/20 0.50
PDGFRA P16234 2/20 0.50
ABL1 P00519 1/20 0.50
KIT P10721 1/20 0.50
MAPK14 Q16539 1/20 0.50
MAPKAPK2 P49137 1/20 0.50
AURKA O14965 2/20 0.48
WEE1 P30291 1/20 0.48
AXL P30530 2/20 0.48
JAK2 O60674 1/20 0.48
JAK3 P52333 1/20 0.48

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
SCHEMBL3209266 0.83 BRD4 (0.72) BRD4EGFRAURKAWEE1AXL
SCHEMBL3211154 0.81 AXL (0.65) BRD4CDK2EGFRAURKAAXL
SCHEMBL3516113 0.79 SRC (0.54) NTRK1CDK2CCNT1CDK9CDK1
SCHEMBL657412 0.79 MAPK1 (0.62) CDK2CDK1EGFRKITAURKA
SCHEMBL3209130 0.79 BRD4 (0.55) BRD4EGFRAURKAWEE1AXL
SCHEMBL13485396 0.78 BRD4 (0.55) BRD4EGFRAURKAAXLJAK2
SCHEMBL3209512 0.78 JAK2 (0.51) NTRK1BRD4CDK2CCNT1CCNE1
SCHEMBL8312148 0.77 CDK1 (0.62) CDK2CDK1SRCPDGFRBABL1
SCHEMBL3302490 0.77 CDK2 (0.53) NTRK1CDK2CCNE1CDK1AURKA
SCHEMBL3197568 0.77 MAPK1 (0.73) CDK2CDK1EGFRKITAURKA

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 NTRK1 2770/4885BRD4 2018/4885CDK2 16/4885
US-20080214558-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS JAK2 KINASE INHIBITORS JAK2, JAK1, JAK3 NTRK1 2475/4885BRD4 251/4885CDK2 6/4885

“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.