SCHEMBL22145720

SCHEMBL22145720

COc1cc(C)c(NC(=O)c2cnc(Cl)nc2Cl)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 11/20 0.54
▸ ATF1 P18846 8/20 0.54
▸ JUN P05412 4/20 0.49
▸ NFKB2 Q00653 4/20 0.49
▸ RELA Q04206 4/20 0.49
▸ S1PR2 O95136 1/20 0.43
▸ S1PR4 O95977 1/20 0.43
▸ CHRNA7 P36544 1/20 0.42
▸ XPO1 O14980 4/20 0.42
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ GRM5 P41594 1/20 0.38

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
SCHEMBL22145357 0.84 NFKB1 (0.45) NFKB1ATF1JUNNFKB2RELA
SCHEMBL22145719 0.83 NFKB1 (0.48) NFKB1ATF1JUNNFKB2RELA
SCHEMBL2949398 0.81 RXFP1 (0.51) NFKB1ATF1JUNNFKB2RELA
SCHEMBL31737736 0.79 PDE4D (0.44) NFKB1ATF1JUNNFKB2RELA
SCHEMBL22145335 0.76 NFKB1 (0.47) NFKB1ATF1JUNNFKB2RELA
SCHEMBL22145341 0.76 KMT2A (0.45) NFKB1ATF1JUNNFKB2RELA
SCHEMBL29549418 0.75 CHRNA7 (0.54) CHRNA7
SCHEMBL22807419 0.75 CHRNA7 (0.54) CHRNA7
SCHEMBL20558428 0.74 NFKB1 (0.65) NFKB1ATF1JUNNFKB2RELA
SCHEMBL27208444 0.73 JUN (0.45) NFKB1JUNNFKB2RELACHRNA7

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 1198/4885ATF1 3040/4885JUN 2847/4885
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 1198/4885ATF1 3040/4885JUN 2847/4885

“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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