SCHEMBL12281591

SCHEMBL12281591

O=C1NC(=O)/C(=C/c2cc(C(F)(F)F)cc(Cl)c2N2CCN(Cc3ccccc3Cl)CC2)S1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.50
▸ PIM2 Q9P1W9 5/20 0.49
▸ PIM1 P11309 4/20 0.49
▸ PIM3 Q86V86 2/20 0.49
▸ TTR P02766 1/20 0.42
▸ CISD1 Q9NZ45 1/20 0.42
▸ MAOA P21397 2/20 0.42
▸ MAOB P27338 2/20 0.42
▸ PTPN1 P18031 4/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ PTPN2 P17706 1/20 0.41
▸ PTPN6 P29350 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ ESRRA P11474 1/20 0.40
▸ PLA2G1B P04054 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ATG4B Q9Y4P1 1/20 0.40
▸ IGF1R P08069 1/20 0.40

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
SCHEMBL1580741 1.00 PARP1 (0.50) PARP1PIM2PIM1PIM3TTR
SCHEMBL1580739 1.00 PARP1 (0.50) PARP1PIM2PIM1PIM3TTR
SCHEMBL13537995 0.93 PARP1 (0.49) PARP1PIM2PIM1PIM3TTR
SCHEMBL12282171 0.86 PIM1 (0.45) PARP1PIM2PIM1PIM3CISD1
SCHEMBL1580475 0.86 PIM1 (0.45) PARP1PIM2PIM1PIM3CISD1
SCHEMBL1580477 0.86 PIM1 (0.45) PARP1PIM2PIM1PIM3CISD1
SCHEMBL2424501 0.83 PIM2 (0.45) PARP1PIM2PIM1PIM3TTR
SCHEMBL2424504 0.83 PIM2 (0.45) PARP1PIM2PIM1PIM3TTR
SCHEMBL12282366 0.83 PIM2 (0.45) PARP1PIM2PIM1PIM3TTR
SCHEMBL12281977 0.83 HPGD (0.47) PARP1PIM2PIM1PIM3KDM4E

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-20150051185-A1 Chemical Compounds 251 ASTRAZENECA AB (SE) 2015-02-19 — — US disclosed
US-20150051185-A1 Chemical Compounds 251 ASTRAZENECA AB (SE) 2015-02-19 — — US disclosed
US-8901307-B2 Chemical compounds 251 ASTRAZENECA AB (SE) 2014-12-02 — — US disclosed
US-8901307-B2 Chemical compounds 251 ASTRAZENECA AB (SE) 2014-12-02 — — US disclosed
US-20110218182-A1 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2011-09-08 — — US disclosed
US-20110218182-A1 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2011-09-08 — — US 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-20110218182-A1 CHEMICAL COMPOUNDS 251 PIM1, PIM3, PIM2 PARP1 390/4885PIM2 3/4885PIM1 1/4885
US-20150051185-A1 Chemical Compounds 251 PIM1, PIM3, PIM2 PARP1 401/4885PIM2 3/4885PIM1 1/4885

“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.

Send feedback