SCHEMBL14141841

SCHEMBL14141841

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.44
▸ HPGD P15428 4/20 0.44
▸ NPC1 O15118 6/20 0.43
▸ LMNA P02545 2/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ RAB9A P51151 6/20 0.42
▸ MAPT P10636 4/20 0.42
▸ POLB P06746 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ DHODH Q02127 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HIF1A Q16665 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL14141668 0.85 MEN1 (0.37) ALDH1A1HPGDNPC1LMNARAB9A
SCHEMBL14142220 0.85 AKR1C3 (0.33) ALDH1A1HPGDNPC1LMNAMAPK10
SCHEMBL14141816 0.84 ALDH1A1 (0.44) ALDH1A1HPGDNPC1LMNAMAPK10
SCHEMBL17019851 0.84 ALDH1A1 (0.46) ALDH1A1HPGDNPC1LMNAMAPK10
SCHEMBL14142362 0.77 LCK (0.52) NPC1RAB9ASMN1; SMN2
SCHEMBL14142121 0.72 SRC (0.61) —
SCHEMBL27788358 0.72 LCK (0.42) ALDH1A1POLBSMN1; SMN2TSHR
SCHEMBL14142008 0.71 LCK (0.51) RAB9ASMN1; SMN2
SCHEMBL4765972 0.71 NPC1 (0.76) ALDH1A1HPGDNPC1LMNARAB9A
SCHEMBL14141840 0.70 LCK (0.50) —

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 ALDH1A1 1094/4885HPGD 1689/4885NPC1 3280/4885

“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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