SCHEMBL588730

SCHEMBL588730

CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ncc2Cl)n[nH]1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 11/20 0.73
AURKA O14965 7/20 0.73
JAK3 P52333 6/20 0.73
JAK2 O60674 6/20 0.73
IGF1R P08069 3/20 0.73
NTRK3 Q16288 2/20 0.73
NTRK2 Q16620 2/20 0.73
RET P07949 2/20 0.73
FGFR1 P11362 2/20 0.73
FLT3 P36888 2/20 0.73
PTK2 Q05397 2/20 0.73
TNK2 Q07912 2/20 0.73
LCK P06239 1/20 0.73
FYN P06241 1/20 0.73
FLT1 P17948 1/20 0.73
LTK P29376 1/20 0.73
KDR P35968 1/20 0.73
CSNK1A1 P48729 1/20 0.73
CLK2 P49760 1/20 0.73
CDK7 P50613 1/20 0.73

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
SCHEMBL29434985 1.00 NTRK1 (0.73) NTRK1AURKAJAK3JAK2IGF1R
SCHEMBL31060183 1.00 NTRK1 (0.73) NTRK1AURKAJAK3JAK2IGF1R
SCHEMBL18281508 1.00 NTRK1 (0.73) NTRK1AURKAJAK3JAK2IGF1R
Phosphoric Acid SCHEMBL3041888 0.95 NTRK1 (0.66) NTRK1AURKAJAK3JAK2IGF1R
Maleic Acid SCHEMBL4904780 0.93 NTRK1 (0.63) NTRK1AURKAJAK3JAK2IGF1R
SCHEMBL3034183 0.92 NTRK1 (0.71) NTRK1AURKAJAK3JAK2IGF1R
SCHEMBL3041951 0.91 NTRK1 (0.69) NTRK1AURKAJAK3JAK2IGF1R
SCHEMBL17433341 0.91 NTRK1 (0.59) NTRK1AURKAJAK3JAK2IGF1R
SCHEMBL588783 0.89 JAK3 (0.57) NTRK1AURKAJAK3JAK2IGF1R
SCHEMBL3036561 0.89 JAK2 (0.58) NTRK1AURKAJAK3JAK2IGF1R

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 219 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210648-A1 PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS ASTRAZENECA R&D (SE) 2010-08-19 US claimed
US-20080287437-A1 Pyrazolylaminopyrimidine Derivatives Useful as Tyrosine Kinase Inhibitors ASTRAZENECA AB (SE) 2008-11-20 US claimed
US-20080108633-A1 Use 540 ASTRAZENECA AB (SE) 2008-05-08 US claimed
US-20260049085-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. (US) 2026-02-19 US disclosed
US-20250340615-A1 NOVEL FUSION MOLECULES AND USES THEREOF FOUNDATION MEDICINE, INC. (US) 2025-11-06 US disclosed
US-20250333479-A1 NOVEL FUSION MOLECULES AND USES THEREOF FOUNDATION MEDICINE, INC. (US) 2025-10-30 US disclosed
US-20250333480-A1 FUSION MOLECULES AND USES THEREOF FOUNDATION MEDICINE, INC. (US) 2025-10-30 US disclosed
US-12378302-B2 Fusion molecules and uses thereof FOUNDATION MEDICINE, INC. (US) 2025-08-05 US disclosed
US-12351571-B2 Substituted quinoxaline compounds as inhibitors of FGFR tyrosine kinases ARRAY BIOPHARMA INC. (US) 2025-07-08 US disclosed
EP-4574214-A2 CYCLIC COMPOUNDS AND METHODS OF USING SAME Schrödinger, Inc. (US) 2025-06-25 EP disclosed
US-20250195514-A1 METHODS OF TREATING CHOLANGIOCARCINOMA FOUNDATION MEDICINE, INC. (US) 2025-06-19 US disclosed
EP-2914622-A2 NOVEL FUSION MOLECULES AND USES THEREOF Foundation Medicine, Inc. (US) 2015-09-09 EP disclosed
US-20150073036-A1 NOVEL NTRK1 FUSION MOLECULES AND USES THEREOF FOUNDATION MEDICINE, INC. 2015-03-12 US disclosed
US-20150073036-A1 NOVEL NTRK1 FUSION MOLECULES AND USES THEREOF FOUNDATION MEDICINE, INC. 2015-03-12 US disclosed
US-20150073036-A1 NOVEL NTRK1 FUSION MOLECULES AND USES THEREOF FOUNDATION MEDICINE, INC. 2015-03-12 US disclosed
WO-2014071419-A2 NOVEL FUSION MOLECULES AND USES THEREOF FOUNDATION MEDICINE, INC. (US) 2014-05-08 WO disclosed
US-8114989-B2 Pyrazolylaminopyrimidine derivatives useful as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2012-02-14 US disclosed
US-20100210648-A1 PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS ASTRAZENECA R&D (SE) 2010-08-19 US disclosed
US-20080287437-A1 Pyrazolylaminopyrimidine Derivatives Useful as Tyrosine Kinase Inhibitors ASTRAZENECA AB (SE) 2008-11-20 US disclosed
US-20080108633-A1 Use 540 ASTRAZENECA AB (SE) 2008-05-08 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 (10 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-20250195514-A1 METHODS OF TREATING CHOLANGIOCARCINOMA HCCS, PNLIP, LIPA NTRK1 2894/4885AURKA 766/4885JAK3 1602/4885
US-20150073036-A1 NOVEL NTRK1 FUSION MOLECULES AND USES THEREOF NTRK1, NTRK3, NTRK2 NTRK1 1/4885AURKA 980/4885JAK3 2685/4885
US-20080287437-A1 Pyrazolylaminopyrimidine Derivatives Useful as Tyrosine Kinase Inhibitors ABL1, FLT3, ERBB2 NTRK1 574/4885AURKA 156/4885JAK3 73/4885
US-20250340615-A1 NOVEL FUSION MOLECULES AND USES THEREOF RPS27A, CD2BP2, FGB NTRK1 1066/4885AURKA 3234/4885JAK3 3043/4885
US-20260049085-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME CCR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MALT1 NTRK1 1684/4885AURKA 4593/4885JAK3 2382/4885
US-12378302-B2 Fusion molecules and uses thereof RPS27A, CD2BP2, FGB NTRK1 1138/4885AURKA 3122/4885JAK3 2956/4885
US-20250333479-A1 NOVEL FUSION MOLECULES AND USES THEREOF RPS27A, CD2BP2, FGB NTRK1 1066/4885AURKA 3234/4885JAK3 3043/4885
US-20100210648-A1 PYRAZOLYLAMINOPYRIMIDINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS ABL1, FLT3, ERBB2 NTRK1 574/4885AURKA 156/4885JAK3 73/4885
US-12351571-B2 Substituted quinoxaline compounds as inhibitors of FGFR tyrosine kinases FGFR3, FGFR4, FGFR1 NTRK1 485/4885AURKA 146/4885JAK3 29/4885
US-20250333480-A1 FUSION MOLECULES AND USES THEREOF RPS27A, CD2BP2, FGB NTRK1 1138/4885AURKA 3122/4885JAK3 2956/4885

“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.