SCHEMBL20558364

SCHEMBL20558364

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nn(C)c2nc(Cl)ncc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 9/20 0.64
▸ BTK Q06187 5/20 0.64
▸ LCK P06239 4/20 0.64
▸ MAPK14 Q16539 4/20 0.64
▸ SRC P12931 3/20 0.64
▸ EPHB2 P29323 3/20 0.64
▸ DDR1 Q08345 3/20 0.64
▸ DDR2 Q16832 3/20 0.64
▸ ESYT2 A0FGR8 2/20 0.64
▸ NBAS A2RRP1 2/20 0.64
▸ CNOT1 A5YKK6 2/20 0.64
▸ TBKBP1 A7MCY6 2/20 0.64
▸ AGPS O00116 2/20 0.64
▸ MYO1F O00160 2/20 0.64
▸ SNAP23 O00161 2/20 0.64
▸ AP3B1 O00203 2/20 0.64
▸ PSMD12 O00232 2/20 0.64
▸ BMPR1B O00238 2/20 0.64
▸ PGRMC1 O00264 2/20 0.64
▸ CLIC1 O00299 2/20 0.64

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 0.93 BTK (0.67) BRAFBTKLCKMAPK14SRC
SCHEMBL20558511 0.90 BTK (0.66) BRAFBTKLCKMAPK14SRC
SCHEMBL14070207 0.86 BTK (0.64) BRAFBTKLCKMAPK14SRC
SCHEMBL14070271 0.85 BTK (0.61) BRAFBTKLCKMAPK14SRC
SCHEMBL14070277 0.85 BTK (0.60) BRAFBTKLCKMAPK14SRC
SCHEMBL20558338 0.85 BTK (0.53) BRAFBTKLCKMAPK14SRC
SCHEMBL14070248 0.84 BTK (0.60) BRAFBTKLCKMAPK14SRC
SCHEMBL14070282 0.84 BTK (0.60) BRAFBTKLCKMAPK14SRC
SCHEMBL14069588 0.84 BTK (0.67) BRAFBTKLCKMAPK14SRC
SCHEMBL14070275 0.84 BTK (0.59) BRAFBTKLCKMAPK14SRC

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 BRAF 21/4885BTK 1/4885LCK 3/4885
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 BRAF 21/4885BTK 1/4885LCK 3/4885

“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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