SCHEMBL20558338

SCHEMBL20558338

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)c(C)c1Nc1nn(C)c2nc(Cl)ncc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 6/20 0.53
▸ KCNQ3 O43525 1/20 0.48
▸ KCNQ2 O43526 1/20 0.48
▸ KCNE1 P15382 1/20 0.48
▸ KCNQ1 P51787 1/20 0.48
▸ KCNQ5 Q9NR82 1/20 0.48
▸ GAA P10253 2/20 0.47
▸ BRAF P15056 8/20 0.47
▸ LCK P06239 2/20 0.47
▸ KDR P35968 2/20 0.47
▸ MAPK14 Q16539 2/20 0.47
▸ ESYT2 A0FGR8 1/20 0.47
▸ PLEKHG3 A1L390 1/20 0.47
▸ NBAS A2RRP1 1/20 0.47
▸ CNOT1 A5YKK6 1/20 0.47
▸ TBKBP1 A7MCY6 1/20 0.47
▸ MYO1G B0I1T2 1/20 0.47
▸ AGPS O00116 1/20 0.47
▸ MYO1F O00160 1/20 0.47
▸ SNAP23 O00161 1/20 0.47

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
SCHEMBL20558521 0.88 BTK (0.67) BTKKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL20558364 0.85 BRAF (0.64) BTKBRAFLCKKDRMAPK14
SCHEMBL20558373 0.80 BTK (0.84) BTK
SCHEMBL20558511 0.79 BTK (0.66) BTKBRAFLCKKDRMAPK14
SCHEMBL22145724 0.79 KCNQ3 (0.53) BTKKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL14069588 0.78 BTK (0.67) BTKBRAFLCKKDRMAPK14
SCHEMBL14069733 0.77 BTK (0.74) BTKBRAFLCKKDRMAPK14
SCHEMBL4787917 0.77 BTK (0.66) BTKBRAFLCKKDRMAPK14
SCHEMBL14070193 0.76 BTK (0.75) BTKBRAFLCKKDRMAPK14
SCHEMBL14070254 0.76 BTK (0.73) BTKBRAFLCKKDRMAPK14

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 5 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-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
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
WO-2018208132-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) 2018-11-15 — — 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-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 BTK 1/4885KCNQ3 1020/4885KCNQ2 1015/4885
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 BTK 1/4885KCNQ3 1020/4885KCNQ2 1015/4885

“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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