SCHEMBL1104982

SCHEMBL1104982

CC(C)(C)OC(=O)Nc1cc(-c2cc(F)ccc2O)ccn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK3 Q9Y572 1/20 0.44
PIK3C3 Q8NEB9 9/20 0.43
TOP2A P11388 1/20 0.42
CDK9 P50750 4/20 0.41
CDK1 P06493 3/20 0.41
CDK2 P24941 3/20 0.41
CDK3 Q00526 3/20 0.41
CDK5 Q00535 3/20 0.41
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
CCNT1 O60563 2/20 0.41
CCNB1 P14635 2/20 0.41
CCNE1 P24864 2/20 0.41
CCNA1 P78396 2/20 0.41
CDK5R1 Q15078 2/20 0.41
AAK1 Q2M2I8 2/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
TGFBR1 P36897 1/20 0.40
ABL1 P00519 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
SCHEMBL29402022 0.82 ATR (0.46) RIPK3PIK3C3CDK9GSK3BIRAK4
SCHEMBL2029613 0.82 ATR (0.46) RIPK3PIK3C3CDK9GSK3BIRAK4
SCHEMBL1094734 0.81 TOP2A (0.44) PIK3C3TOP2ACDK9CDK1CDK2
SCHEMBL5353074 0.79 RIPK3 (0.45) RIPK3GSK3B
SCHEMBL17971420 0.78 PIK3C3 (0.48) PIK3C3CDK9GSK3AGSK3BAAK1
SCHEMBL5812808 0.78 RIPK3 (0.41) RIPK3PIK3C3CDK9CDK1CDK2
SCHEMBL13826405 0.78 MAPK14 (0.51) CDK9CDK1CDK2CDK3CDK5
SCHEMBL10129965 0.77 PIK3C3 (0.43) PIK3C3AAK1IRAK4TGFBR1
SCHEMBL5349670 0.77 CDK9 (0.42) RIPK3PIK3C3TOP2ACDK9GSK3B
SCHEMBL5251219 0.76 EGFR (0.57) PIK3C3GSK3BAAK1IRAK4TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385938-B1 SULFONAMIDE DERIVATIVES PFIZER LTD (GB) 2015-03-04 EP disclosed
CN-102348697-B Sulfonamide derivatives PFIZER LTD 2014-12-10 CN disclosed
US-8907101-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2014-12-09 US disclosed
US-8907101-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2014-12-09 US disclosed
US-8541588-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2013-09-24 US disclosed
US-8541588-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2013-09-24 US disclosed
US-20120149679-A1 Sulfonamide Derivatives ICAGEN, INC. 2012-06-14 US disclosed
US-20120149679-A1 Sulfonamide Derivatives ICAGEN, INC. 2012-06-14 US disclosed
US-8153814-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2012-04-10 US disclosed
US-8153814-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2012-04-10 US disclosed
CN-102348697-A Sulfonamide derivatives PFIZER LTD 2012-02-08 CN disclosed
US-20100197655-A1 SULFONAMIDE DERIVATIVES Pfizer Limited Icagen, Inc. 2010-08-05 US disclosed
US-20100197655-A1 SULFONAMIDE DERIVATIVES Pfizer Limited Icagen, Inc. 2010-08-05 US disclosed
WO-2010079443-A1 SULFONAMIDE DERIVATIVES PFIZER LIMITED (GB) 2010-07-15 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 (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-20100197655-A1 SULFONAMIDE DERIVATIVES SULT2A1, SULT1A1, TPST2 RIPK3 3750/4885PIK3C3 3536/4885TOP2A 2227/4885
US-20120149679-A1 Sulfonamide Derivatives SULT2A1, SULT1A1, TPST2 RIPK3 3750/4885PIK3C3 3536/4885TOP2A 2227/4885

“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.