SCHEMBL22145335

SCHEMBL22145335

Cc1cc(NNC(=O)OC(C)(C)C)cc(C)c1NC(=O)c1cnc(Cl)nc1Cl

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 7/20 0.47
▸ JUN P05412 4/20 0.47
▸ NFKB2 Q00653 4/20 0.47
▸ RELA Q04206 4/20 0.47
▸ LCK P06239 8/20 0.46
▸ XPO1 O14980 3/20 0.40
▸ ATF1 P18846 4/20 0.39
▸ ATR Q13535 1/20 0.37
▸ STK17B O94768 1/20 0.37
▸ STK17A Q9UEE5 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL20558363 0.79 LCK (0.47) LCKXPO1STK17BSTK17AMEN1
SCHEMBL22145720 0.76 NFKB1 (0.54) NFKB1JUNNFKB2RELAXPO1
SCHEMBL2949398 0.73 RXFP1 (0.51) NFKB1JUNNFKB2RELAXPO1
SCHEMBL22145357 0.72 NFKB1 (0.45) NFKB1JUNNFKB2RELAXPO1
SCHEMBL27924029 0.71 GAA (0.49) ATRSTK17BSTK17AMEN1NPC1
SCHEMBL28558352 0.71 NFKB1 (0.46) NFKB1JUNNFKB2RELAXPO1
SCHEMBL30421442 0.71 NFKB1 (0.46) NFKB1JUNNFKB2RELAXPO1
SCHEMBL20558428 0.69 NFKB1 (0.65) NFKB1JUNNFKB2RELAXPO1
SCHEMBL19282905 0.69 NFKB1 (0.43) NFKB1JUNNFKB2RELAXPO1
SCHEMBL24951632 0.68 RAB9A (0.52) NFKB1JUNNFKB2RELAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11084824-B2 Pyrazolopyrimidine derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating cancer, autoimmune disease and brain disease containing the same as an active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2021-08-10 — — US disclosed
US-20200199129-A1 PYRAZOLOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR USE IN PREVENTING OR TREATING CANCER, AUTOIMMUNE DISEASE AND BRAIN DISEASE CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-06-25 — — 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-11084824-B2 Pyrazolopyrimidine derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating cancer, autoimmune disease and brain disease containing the same as an active ingredient BTK, SYK, LCK NFKB1 1198/4885JUN 2847/4885NFKB2 2526/4885
US-20200199129-A1 PYRAZOLOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR USE IN PREVENTING OR TREATING CANCER, AUTOIMMUNE DISEASE AND BRAIN DISEASE CONTAINING THE SAME AS AN ACTIVE INGREDIENT BTK, SYK, LCK NFKB1 1198/4885JUN 2847/4885NFKB2 2526/4885

“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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