SCHEMBL3596730

SCHEMBL3596730

Cc1cc(Nc2ccnc(Nc3ccc(C(=O)N(C)C4CCN(C)CC4)cc3)n2)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.49
JAK2 O60674 15/20 0.46
JAK1 P23458 12/20 0.46
JAK3 P52333 4/20 0.45
EGFR P00533 1/20 0.44
AXL P30530 1/20 0.44
AURKA O14965 2/20 0.43
LCK P06239 1/20 0.43

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
SCHEMBL3602499 0.86 IGF1R (0.51) IGF1RJAK2JAK1JAK3AURKA
SCHEMBL3604003 0.84 PTK2 (0.49) IGF1RJAK1JAK3AURKALCK
SCHEMBL4621383 0.83 HTR2A (0.49) JAK2JAK3EGFRAXL
SCHEMBL3600363 0.82 LCK (0.39) IGF1RJAK2JAK1JAK3AURKA
SCHEMBL3610904 0.82 USP30 (0.46) IGF1RJAK2JAK1JAK3AURKA
SCHEMBL3305278 0.81 IKBKB (0.45) AURKA
SCHEMBL3603632 0.79 KMT2A (0.41) JAK1JAK3AURKALCK
SCHEMBL4623357 0.78 JAK2 (0.48) IGF1RJAK2JAK3EGFRAXL
SCHEMBL3298098 0.78 AURKA (0.72) AURKA
Hydrochloric Acid SCHEMBL4881375 0.78 JAK2 (0.47) IGF1RJAK2JAK3EGFRAXL

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-20100035907-A1 NEW 2,4-DIANILINOPYRIMIDINES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF ESSENTIALLY AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-02-11 US claimed
EP-2104673-A2 NEW 2, 4-DIANILINOPYRIMIDINES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF ESSENTIALLY AS IKK INHIBITORS Sanofi-Aventis (FR) 2009-09-30 EP claimed
WO-2008099072-A2 NEW 2, 4-DIANILINOPYRIMIDINES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF ESSENTIALLY AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2008-08-21 WO claimed
US-20100035907-A1 NEW 2,4-DIANILINOPYRIMIDINES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF ESSENTIALLY AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-02-11 US disclosed
US-20100035907-A1 NEW 2,4-DIANILINOPYRIMIDINES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF ESSENTIALLY AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-02-11 US disclosed
US-20100035907-A1 NEW 2,4-DIANILINOPYRIMIDINES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF ESSENTIALLY AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-02-11 US disclosed
EP-2104673-A2 NEW 2, 4-DIANILINOPYRIMIDINES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF ESSENTIALLY AS IKK INHIBITORS Sanofi-Aventis (FR) 2009-09-30 EP disclosed
WO-2008099072-A2 NEW 2, 4-DIANILINOPYRIMIDINES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF ESSENTIALLY AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2008-08-21 WO disclosed
WO-2008099072-A2 NEW 2, 4-DIANILINOPYRIMIDINES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF ESSENTIALLY AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2008-08-21 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 (1 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-20100035907-A1 NEW 2,4-DIANILINOPYRIMIDINES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF ESSENTIALLY AS IKK INHIBITORS IKBKB, CDK2, IKBKE IGF1R 1100/4885JAK2 97/4885JAK1 133/4885

“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.