SCHEMBL14142220

SCHEMBL14142220

Cc1nc(I)cc(Nc2nc(C(C)C)c(C(=O)O)s2)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.33
▸ LCK P06239 4/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ HPGD P15428 2/20 0.33
▸ PFKFB3 Q16875 1/20 0.32
▸ DHODH Q02127 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ NPC1 O15118 4/20 0.32
▸ RAB9A P51151 4/20 0.32
▸ MAPT P10636 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ KIT P10721 2/20 0.30
▸ KDR P35968 1/20 0.30

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
SCHEMBL14141792 0.85 AKR1C3 (0.33) AKR1C3LCKALDH1A1HPGDPFKFB3
SCHEMBL14141841 0.85 ALDH1A1 (0.44) ALDH1A1HPGDDHODHLMNAMAPK10
SCHEMBL14141668 0.81 MEN1 (0.37) AKR1C3ALDH1A1HPGDDHODHLMNA
SCHEMBL14142048 0.74 SRC (0.60) LCKKITKDRFLT3MAPK13
SCHEMBL14142362 0.73 LCK (0.52) LCKNPC1RAB9ASMN1; SMN2KIT
SCHEMBL14141795 0.70 FLT3 (0.50) KITKDRFLT3ABL1BCR
SCHEMBL14142148 0.70 SRC (0.46) KITFLT3ABL1SRC
SCHEMBL14141864 0.69 SRC (0.46) KITFLT3ABL1SRC
SCHEMBL14141994 0.69 SRC (0.46) KITKDRFLT3ABL1SRC
SCHEMBL14141816 0.69 ALDH1A1 (0.44) ALDH1A1HPGDDHODHLMNAMAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9108954-B2 Synthesis process of dasatinib and intermediate thereof NAN JING CAVENDISH BIO-ENGINEERING TECHNOLOGY CO., LTD. (CN) 2015-08-18 — — US claimed
US-20130030177-A1 SYNTHESIS PROCESS OF DASATINIB AND INTERMEDIATE THEREOF Nan Jing Cavendish Bio-Engineering Technology Co. Ltd. (CN) 2013-01-31 — — US claimed
EP-2532662-A1 SYNTHESIS PROCESS OF DASATINIB AND INTERMEDIATE THEREOF Nanjing Cavendish Bio-Engineering Technology Co., Ltd. (CN) 2012-12-12 — — EP claimed
US-9108954-B2 Synthesis process of dasatinib and intermediate thereof NAN JING CAVENDISH BIO-ENGINEERING TECHNOLOGY CO., LTD. (CN) 2015-08-18 — — US disclosed
US-20130030177-A1 SYNTHESIS PROCESS OF DASATINIB AND INTERMEDIATE THEREOF Nan Jing Cavendish Bio-Engineering Technology Co. Ltd. (CN) 2013-01-31 — — US disclosed
EP-2532662-A1 SYNTHESIS PROCESS OF DASATINIB AND INTERMEDIATE THEREOF Nanjing Cavendish Bio-Engineering Technology Co., Ltd. (CN) 2012-12-12 — — EP 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-20130030177-A1 SYNTHESIS PROCESS OF DASATINIB AND INTERMEDIATE THEREOF ABL1, YES1, ABL2 AKR1C3 882/4885LCK 73/4885ALDH1A1 1094/4885

“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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