SCHEMBL3944582

SCHEMBL3944582

Cc1cn(-c2cc(NC(=O)c3ccc(Nc4nccc(-c5cccnc5)n4)cc3)cc(C(F)(F)F)c2)cn1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 16/20 0.85
▸ BCR P11274 10/20 0.85
▸ PDGFRB P09619 6/20 0.85
▸ KIT P10721 5/20 0.85
▸ PDGFRA P16234 5/20 0.85
▸ LCK P06239 4/20 0.85
▸ LYN P07948 4/20 0.85
▸ FLT3 P36888 4/20 0.85
▸ DDR2 Q16832 4/20 0.85
▸ LDLR P01130 2/20 0.85
▸ PCSK9 Q8NBP7 2/20 0.85
▸ ADORA3 P0DMS8 2/20 0.85
▸ EPHB6 O15197 1/20 0.85
▸ CA12 O43570 1/20 0.85
▸ CACNA1F O60840 1/20 0.85
▸ SLC22A3 O75751 1/20 0.85
▸ STK10 O94804 1/20 0.85
▸ CA1 P00915 1/20 0.85
▸ CA2 P00918 1/20 0.85
▸ RAF1 P04049 1/20 0.85

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 SCHEMBL15703833 0.99 ABL1 (0.84) ABL1BCRPDGFRBKITPDGFRA
SCHEMBL1928672 0.92 ABL1 (0.83) ABL1BCRPDGFRBKITPDGFRA
Nilotinib SCHEMBL29580067 0.92 ABL1 (1.00) ABL1BCRPDGFRBKITPDGFRA
Nilotinib SCHEMBL7901 0.92 ABL1 (1.00) ABL1BCRPDGFRBKITPDGFRA
Nilotinib SCHEMBL29366964 0.92 ABL1 (1.00) ABL1BCRPDGFRBKITPDGFRA
SCHEMBL22930329 0.92 ABL1 (0.89) ABL1BCRPDGFRBKITPDGFRA
Nilotinib SCHEMBL9990634 0.91 ABL1 (0.99) ABL1BCRPDGFRBKITPDGFRA
Nilotinib SCHEMBL1984397 0.91 ABL1 (0.99) ABL1BCRPDGFRBKITPDGFRA
Nilotinib SCHEMBL1459790 0.91 ABL1 (0.99) ABL1BCRPDGFRBKITPDGFRA
Nilotinib SCHEMBL31005052 0.91 ABL1 (0.99) ABL1BCRPDGFRBKITPDGFRA

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
EP-1922309-A1 N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Il Yang Pharm. Co. Ltd. (KR) 2008-05-21 — — EP claimed
WO-2007018325-A1 N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF IL-YANG PHARM. CO., LTD. (KR) 2007-02-15 — — WO claimed
EP-1922309-B1 N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF IL YANG PHARM CO LTD (KR) 2014-05-21 — — EP disclosed
US-7501424-B2 N-phenyl-2-pyrimidine-amine derivatives and process for the preparation thereof IL-YANG PHARM. CO., LTD. (KR) 2009-03-10 — — US disclosed
EP-1922309-A1 N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Il Yang Pharm. Co. Ltd. (KR) 2008-05-21 — — EP disclosed
US-20080096899-A1 N-Phenyl-2-Pyrimidine-Amine Derivatives and Process for the Preparation Thereof IL-YANG PHARM. CO., LTD. (KR) 2008-04-24 — — US disclosed
WO-2007018325-A1 N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF IL-YANG PHARM. CO., LTD. (KR) 2007-02-15 — — 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-20080096899-A1 N-Phenyl-2-Pyrimidine-Amine Derivatives and Process for the Preparation Thereof ITPA, TYMP, THPO ABL1 451/4885BCR 990/4885PDGFRB 194/4885

“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.

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