SCHEMBL4717415

SCHEMBL4717415

CC(C)(C)n1cc(NC(=O)O)cn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.47
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
JAK2 O60674 9/20 0.42
JAK3 P52333 8/20 0.42
JAK1 P23458 8/20 0.42
TYK2 P29597 7/20 0.42
ITK Q08881 1/20 0.41
RPS6KA3 P51812 3/20 0.41
RPS6KA2 Q15349 1/20 0.40
RAF1 P04049 1/20 0.39
BRAF P15056 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
SCHEMBL21719735 0.86 KDM1A (0.47) KDM1AALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL31057999 0.84 KDM1A (0.49) KDM1AALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL16423979 0.83 ALDH1A1 (0.42) KDM1AALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL22468588 0.82 ALDH1A1 (0.39) KDM1AALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL16424284 0.79 ALDH1A1 (0.38) KDM1AALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL1011800 0.78 ALDH1A1 (0.51) KDM1AALDH1A1HTTSMN1; SMN2RAF1
SCHEMBL573863 0.77 JAK3 (0.45) KDM1AJAK2JAK3JAK1TYK2
SCHEMBL11915943 0.76 CRACR2A (0.41) KDM1AJAK2JAK3JAK1TYK2
SCHEMBL4730942 0.76 ALDH1A1 (0.64) KDM1AALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL10982353 0.75 KDM1A (0.37) KDM1AHTTSMN1; SMN2JAK2JAK3

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
WO-2023122134-A1 SALTS AND SOLID FORMS OF AN FGFR INHIBITOR AND PROCESSES OF PREPARING THEREOF INCYTE CORPORATION (US) 2023-06-29 WO disclosed
US-20230192722-A1 SALTS AND SOLID FORMS OF AN FGFR INHIBITOR AND PROCESSES OF PREPARING THEREOF INCYTE CORPORATION 2023-06-22 US disclosed
EP-1737463-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
US-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity ASTRAZENECA AB (SE) 2008-05-08 US disclosed
EP-1737463-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY AstraZeneca AB (SE) 2007-01-03 EP disclosed
WO-2005060970-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 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-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity TIE1, TEK, TEKT1 KDM1A 382/4885ALDH1A1 1339/4885HTT 3231/4885
US-20230192722-A1 SALTS AND SOLID FORMS OF AN FGFR INHIBITOR AND PROCESSES OF PREPARING THEREOF FGFR1, FGFR3, FGFR4 KDM1A 391/4885ALDH1A1 1054/4885HTT 3549/4885

“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.