SCHEMBL1569990

SCHEMBL1569990

CC(=O)Nc1c[c]cc(I)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NAPRT Q6XQN6 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ CA12 O43570 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ MB P02144 1/20 0.39
▸ CYP1A1 P04798 1/20 0.39
▸ CA3 P07451 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39

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
SCHEMBL1570132 0.86 LMNA (0.52) LMNASMN1; SMN2HSD17B10HTTL3MBTL1
SCHEMBL25360083 0.78 LMNA (0.45) LMNASMN1; SMN2HSD17B10HTTL3MBTL1
SCHEMBL10882572 0.78 LMNA (0.61) LMNASMN1; SMN2HSD17B10HTTL3MBTL1
SCHEMBL25522846 0.77 LMNA (0.58) LMNASMN1; SMN2HSD17B10HTTL3MBTL1
SCHEMBL18109247 0.77 MEN1 (0.44) LMNASMN1; SMN2HSD17B10HTTL3MBTL1
SCHEMBL1570394 0.73 LMNA (0.40) LMNASMN1; SMN2HSD17B10HTTL3MBTL1
SCHEMBL2894937 0.73 KIF11 (0.46) LMNASMN1; SMN2L3MBTL1MAPTCYP1A2
SCHEMBL4628395 0.73 SMN1; SMN2 (0.48) LMNASMN1; SMN2HSD17B10HTTL3MBTL1
SCHEMBL1569968 0.72 ALDH1A1 (0.41) LMNASMN1; SMN2HSD17B10HTTL3MBTL1
SCHEMBL16050414 0.72 NAPRT (0.53) SMN1; SMN2HSD17B10HTTL3MBTL1NAPRT

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
CN-102123991-A 2-arylaminoquinazolines for the treatment of proliferative diseases NOVARTIS AG 2011-07-13 — — CN disclosed
WO-2008079988-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2011-05-12 — — WO disclosed
EP-2307385-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES Novartis AG (CH) 2011-04-13 — — EP disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 — — US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 — — US disclosed
CN-101652352-A Quinazolines for PDK1 inhibition NOVARTIS VACCINES & DIAGNOSTIC 2010-02-17 — — CN disclosed
WO-2009153313-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2009-12-23 — — 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 (2 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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 LMNA 2948/4885SMN1; SMN2 3375/4885HSD17B10 1460/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 LMNA 2647/4885SMN1; SMN2 2726/4885HSD17B10 956/4885

“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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