SCHEMBL801749

SCHEMBL801749

Cc1cc(NC(C)C)cc(C(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 2/20 0.33
CYP3A4 P08684 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
RECQL P46063 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KCNH3 Q9ULD8 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.32
POLB P06746 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.31

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
SCHEMBL7809681 0.84 TDP1 (0.46) TDP1KDM4EALDH1A1HTTLMNA
SCHEMBL18998887 0.84 TDP1 (0.46) TDP1ALDH1A1HTTLMNACYP3A4
SCHEMBL14267833 0.80 ALDH1A1 (0.35) KDM4EALDH1A1HTTLMNARAPGEF4
SCHEMBL11582579 0.78 MAPT (0.39) KDM4EALDH1A1HTTLMNARAPGEF4
SCHEMBL19122096 0.77 TDP1 (0.37) TDP1ALDH1A1LMNACYP3A4THRB
SCHEMBL24972324 0.76 MEN1 (0.56) TDP1KDM4EALDH1A1HTTLMNA
SCHEMBL3363012 0.75 LMNA (0.40) KDM4EALDH1A1HTTLMNATSHR
SCHEMBL599485 0.75 ALDH1A1 (0.42) KDM4EALDH1A1HTTLMNATSHR
SCHEMBL12369336 0.74 RAPGEF4 (0.44) TDP1ALDH1A1LMNACYP3A4THRB
SCHEMBL21283087 0.74 TDP1 (0.38) TDP1ALDH1A1LMNACYP3A4THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399322-A1 EIF4E INHIBITORS AND USES THEREOF PIC Therapeutics, Inc. 2023-12-14 US disclosed
US-11753403-B2 EIF4E inhibitors and uses thereof PIC Therapeutics, Inc. (US) 2023-09-12 US disclosed
US-11753403-B2 EIF4E inhibitors and uses thereof PIC Therapeutics, Inc. (US) 2023-09-12 US disclosed
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 US disclosed
US-8524720-B2 Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 US disclosed
US-7951820-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 US disclosed
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-07 US disclosed
US-7691853-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-06 US disclosed
US-7473691-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-01-06 US disclosed
US-7390815-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 US disclosed
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 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 (5 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-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, CDK3, GSK3A TDP1 1916/4885KDM4E 1621/4885ALDH1A1 4625/4885
US-20230399322-A1 EIF4E INHIBITORS AND USES THEREOF EIF4E, EIF4EBP1, EIF4A1 TDP1 1025/4885KDM4E 710/4885ALDH1A1 4776/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 TDP1 1396/4885KDM4E 1040/4885ALDH1A1 4768/4885
US-11753403-B2 EIF4E inhibitors and uses thereof EIF4E, EIF4EBP1, EIF4A1 TDP1 1025/4885KDM4E 710/4885ALDH1A1 4776/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A TDP1 1916/4885KDM4E 1621/4885ALDH1A1 4625/4885

“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.