SCHEMBL29611773

SCHEMBL29611773

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCCNC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.80
LCK P06239 3/20 0.80
LYN P07948 3/20 0.80
NUDT14 O95848 2/20 0.68
NUDT5 Q9UKK9 2/20 0.68
SRC P12931 2/20 0.64
KDR P35968 2/20 0.64
TEK Q02763 1/20 0.64
EGFR P00533 4/20 0.61
TEC P42680 3/20 0.61
BMX P51813 3/20 0.61
TXK P42681 2/20 0.61
FGFR2 P21802 2/20 0.61
ITK Q08881 2/20 0.61
BLK P51451 2/20 0.61
RIPK2 O43353 1/20 0.61
NR1I2 O75469 1/20 0.61
SLC22A3 O75751 1/20 0.61
LATS1 O95835 1/20 0.61
ABL1 P00519 1/20 0.61

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
SCHEMBL1614098 1.00 BTK (0.80) BTKLCKLYNNUDT14NUDT5
SCHEMBL1614096 1.00 BTK (0.80) BTKLCKLYNNUDT14NUDT5
SCHEMBL17713765 1.00 BTK (0.80) BTKLCKLYNNUDT14NUDT5
Hydrochloric Acid SCHEMBL17713741 0.99 BTK (0.78) BTKLCKLYNNUDT14NUDT5
Hydrochloric Acid SCHEMBL16931735 0.99 BTK (0.78) BTKLCKLYNNUDT14NUDT5
Hydrochloric Acid SCHEMBL16931734 0.99 BTK (0.78) BTKLCKLYNNUDT14NUDT5
Hydrochloric Acid SCHEMBL17713743 0.99 BTK (0.78) BTKLCKLYNNUDT14NUDT5
SCHEMBL14576054 0.94 BTK (0.76) BTKLCKLYNNUDT14NUDT5
SCHEMBL5803386 0.94 BTK (0.76) BTKLCKLYNNUDT14NUDT5
SCHEMBL28874582 0.93 BTK (0.70) BTKLCKLYNNUDT14NUDT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023197914-A1 NOVEL USE OF PYRAZOLOPYRIMIDINE COMPOUND 安徽中科拓苒药物科学研究有限公司 2023-10-19 WO claimed
CN-114605418-B Ibrutinib acrylamide derivative with anti-tumor activity, and synthetic method and application thereof 广东医科大学附属医院 2023-09-05 CN claimed
CN-115124536-A Synthesis method of ibrutinib intermediate 浙江美诺华药物化学有限公司 2022-09-30 CN claimed
CN-114605418-A Ibrutinib acrylamide derivative with antitumor activity and synthesis method and application thereof 广东医科大学附属医院 2022-06-10 CN claimed
US-20250136619-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. 2025-05-01 US disclosed
CN-113929685-B Preparation method of ibutenib intermediate 鲁南制药集团股份有限公司 2024-05-17 CN disclosed
CN-113929685-B Preparation method of ibutenib intermediate 鲁南制药集团股份有限公司 2024-05-17 CN disclosed
US-20240024314-A1 Methods of Treating Splenomegaly TELIOS PHARMA, INC. (US) 2024-01-25 US disclosed
WO-2023197914-A1 NOVEL USE OF PYRAZOLOPYRIMIDINE COMPOUND 安徽中科拓苒药物科学研究有限公司 2023-10-19 WO disclosed
CN-114605418-B Ibrutinib acrylamide derivative with anti-tumor activity, and synthetic method and application thereof 广东医科大学附属医院 2023-09-05 CN disclosed
CN-113929686-B Preparation method of ibutenib 鲁南制药集团股份有限公司 2023-08-22 CN disclosed
US-11642343-B2 Methods of treating splenomegaly TELIOS PHARMA, INC. (US) 2023-05-09 US disclosed
WO-2023059581-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2023-04-13 WO disclosed
US-20220387434-A1 COMBINATION OF A BTK INHIBITOR AND AN MDM2 INHIBITOR FOR CANCER TREATMENT QUOGUE IP HOLDINGS LLC (US) 2022-12-08 US disclosed
CN-115124536-A Synthesis method of ibrutinib intermediate 浙江美诺华药物化学有限公司 2022-09-30 CN disclosed
CN-111004239-B Preparation method of ibrutinib precursor 上海柏狮生物科技有限公司 2022-09-13 CN disclosed
EP-4017843-A1 BENZENESULFONAMIDE DERIVATIVES AND USES THEREOF 2692372 Ontario, Inc. (CA) 2022-06-29 EP disclosed
US-20220184069-A1 METHODS OF TREATING SPLENOMEGALY TELIOS PHARMA, INC. (US) 2022-06-16 US disclosed
CN-114605418-A Ibrutinib acrylamide derivative with antitumor activity and synthesis method and application thereof 广东医科大学附属医院 2022-06-10 CN disclosed
CN-114502533-A Benzenesulfonamide derivatives and use thereof 2692372安大略公司 2022-05-13 CN 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-20220387434-A1 COMBINATION OF A BTK INHIBITOR AND AN MDM2 INHIBITOR FOR CANCER TREATMENT BTK, BCL9L, BCL9 BTK 1/4885LCK 25/4885LYN 9/4885
US-20250136619-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE CDK9, AURKB, AURKC BTK 153/4885LCK 60/4885LYN 380/4885

“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.