SCHEMBL22145724

SCHEMBL22145724

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)c(C)c1NC(=O)c1cnc(Cl)nc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 1/20 0.53
▸ KCNQ2 O43526 1/20 0.53
▸ KCNE1 P15382 1/20 0.53
▸ KCNQ1 P51787 1/20 0.53
▸ KCNQ5 Q9NR82 1/20 0.53
▸ JUN P05412 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ BRAF P15056 9/20 0.50
▸ GAA P10253 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CSF1R P07333 5/20 0.49
▸ LCK P06239 4/20 0.49
▸ MAPK14 Q16539 3/20 0.49
▸ BTK Q06187 3/20 0.49
▸ KIT P10721 2/20 0.49
▸ KDR P35968 1/20 0.49
▸ ABL1 P00519 2/20 0.48
▸ SRC P12931 2/20 0.48

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
SCHEMBL22145725 0.89 CSF1R (0.50) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL22145723 0.86 BRAF (0.67) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL20558338 0.79 BTK (0.53) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL22145722 0.77 CSF1R (0.65) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL2949398 0.75 RXFP1 (0.51) JUNNFKB1NFKB2RELA
SCHEMBL20558345 0.72 GAA (0.67) BRAFGAACSF1RLCKMAPK14
SCHEMBL29549418 0.72 CHRNA7 (0.54) LCKMAPK14SRC
SCHEMBL22807419 0.72 CHRNA7 (0.54) LCKMAPK14SRC
SCHEMBL5338598 0.71 KCNQ3 (1.00) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL31737736 0.71 PDE4D (0.44) JUNNFKB1NFKB2RELA

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 KCNQ3 1020/4885KCNQ2 1015/4885KCNE1 2262/4885
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 KCNQ3 1020/4885KCNQ2 1015/4885KCNE1 2262/4885

“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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