SCHEMBL18123774

SCHEMBL18123774

CC1(C)OB(c2ccc(Oc3ccncc3)cc2)OC1(C)C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
LPL P06858 12/20 0.47
LIPG Q9Y5X9 12/20 0.47
F11 P03951 1/20 0.43
SNCA P37840 1/20 0.42
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
DGAT1 O75907 1/20 0.39
ESR2 Q92731 1/20 0.37
P4HB P07237 1/20 0.35

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
SCHEMBL5243207 0.89 CA1 (0.61) CA1CA2CA9LPLLIPG
SCHEMBL25358250 0.84 CYP19A1 (0.49) CA1CA2CA9LPLLIPG
SCHEMBL31276809 0.84 CYP19A1 (0.49) CA1CA2CA9LPLLIPG
SCHEMBL321437 0.83 LPL (0.53) CA1CA2CA9LPLLIPG
SCHEMBL25658494 0.82 CA1 (0.54) CA1CA2CA9LPLLIPG
SCHEMBL5899727 0.82 LPL (0.65) CA1CA2CA9LPLLIPG
SCHEMBL623833 0.82 CA1 (0.54) CA1CA2CA9LPLLIPG
SCHEMBL171897 0.82 CA1 (0.44) CA1CA2CA9LPLLIPG
SCHEMBL368960 0.81 LPL (0.71) CA1CA2CA9LPLLIPG
SCHEMBL17423566 0.81 CA1 (0.53) CA1CA2CA9LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3481831-B1 4-AMINOPYRAZOLO[3,4-D]PYRIMIDINYLAZABICYCLO DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO LTD (KR) 2023-09-06 EP disclosed
EP-3481831-B1 4-AMINOPYRAZOLO[3,4-D]PYRIMIDINYLAZABICYCLO DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO LTD (KR) 2023-09-06 EP disclosed
WO-2023122778-A1 PYRIDAZINONE DERIVATIVES USEFUL AS T CELL ACTIVATORS GOSSAMER BIO SERVICES, INC. (US) 2023-06-29 WO disclosed
US-10399988-B2 4-aminopyrazolo[3,4-d]pyrimidinylazabicyclo derivatives and pharmaceutical composition comprising the same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2019-09-03 US disclosed
US-10399988-B2 4-aminopyrazolo[3,4-d]pyrimidinylazabicyclo derivatives and pharmaceutical composition comprising the same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2019-09-03 US disclosed
US-20190161488-A1 Novel 4-aminopyrazolo[3,4-d]pyrimidinylazabicyclo Derivatives and Pharmaceutical Composition Comprising the Same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2019-05-30 US disclosed
US-20190161488-A1 Novel 4-aminopyrazolo[3,4-d]pyrimidinylazabicyclo Derivatives and Pharmaceutical Composition Comprising the Same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2019-05-30 US disclosed
WO-2016154998-A1 PYRAZOLOPYRIMIDINE DERIVATIVE, MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF 安润医药科技(苏州)有限公司 2016-10-06 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-10399988-B2 4-aminopyrazolo[3,4-d]pyrimidinylazabicyclo derivatives and pharmaceutical composition comprising the same ITK, BTK, TYK2 CA1 4798/4885CA2 2691/4885CA9 3465/4885
US-20190161488-A1 Novel 4-aminopyrazolo[3,4-d]pyrimidinylazabicyclo Derivatives and Pharmaceutical Composition Comprising the Same BTK, ITK, TYK2 CA1 4824/4885CA2 3000/4885CA9 3902/4885

“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.