SCHEMBL3859043

SCHEMBL3859043

CN1CCCN(Cc2ccc(C(=O)Nc3ccc(F)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1.CS(=O)(=O)O

nearest known ligand 0.81

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 known ✓ P00519 20/20 0.81
BCR known ✓ P11274 17/20 0.81
KIT known ✓ P10721 9/20 0.81
PDGFRB known ✓ P09619 2/20 0.76
EGFR known ✓ P00533 1/20 0.76
BRAF known ✓ P15056 1/20 0.76
HTR2A known ✓ P28223 1/20 0.76
SLC6A4 known ✓ P31645 1/20 0.76
KDR known ✓ P35968 1/20 0.76
PDGFRA P16234 3/20 0.81
RAD52 P43351 1/20 0.81
LYN P07948 4/20 0.76
ABL2 P42684 4/20 0.76
SRC P12931 2/20 0.76
SYK P43405 2/20 0.76
PLK4 O00444 1/20 0.76
DDX3X O00571 1/20 0.76
GAK O14976 1/20 0.76
SLC22A2 O15244 1/20 0.76
MAPK13 O15264 1/20 0.76

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
SCHEMBL3860712 0.97 ABL1 (0.80) ABL1BCRKITPDGFRARAD52
SCHEMBL3860717 0.97 ABL1 (0.85) ABL1BCRKITPDGFRARAD52
SCHEMBL3859467 0.95 ABL1 (0.75) ABL1BCRKITPDGFRARAD52
SCHEMBL2624943 0.94 ABL1 (0.84) ABL1BCRKITPDGFRARAD52
SCHEMBL3859559 0.93 ABL1 (0.94) ABL1BCRKITPDGFRARAD52
SCHEMBL3863215 0.92 ABL1 (0.74) ABL1BCRKITPDGFRARAD52
SCHEMBL3863321 0.91 ABL1 (0.84) ABL1BCRKITPDGFRARAD52
SCHEMBL3868282 0.91 ABL1 (0.79) ABL1BCRKITPDGFRARAD52
SCHEMBL3859449 0.91 ABL1 (0.79) ABL1BCRKITPDGFRARAD52
SCHEMBL3867814 0.90 ABL1 (0.88) ABL1BCRKITPDGFRARAD52

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595323-B2 N-phenyl-2-pyrimidine-amine derivatives and process for the preparation thereof IL YANG PHARM. CO., LTD. (KR) 2009-09-29 US disclosed
US-20040248918-A1 Anticancer agents IL YANG PHARM. CO., LTD. 2004-12-09 US disclosed
WO-2004099186-A1 N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF IL YANG PHARM CO., LTD. (KR) 2004-11-18 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-20040248918-A1 Anticancer agents BRDT, CHIA, RNASE1 ABL1 1106/4885BCR 2730/4885KIT 851/4885

“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.