SCHEMBL2565697

SCHEMBL2565697

Cc1cc(C#N)ccc1I

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.46
ALB P02768 1/20 0.46
CYP2A6 P11509 3/20 0.46
ALDH1A1 P00352 1/20 0.46
AR P10275 4/20 0.39
CYP11B1 P15538 3/20 0.37
CYP11B2 P19099 3/20 0.37
EGLN2 Q96KS0 4/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA6 P23280 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 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
SCHEMBL31483658 1.00 TTR (0.46) TTRALBCYP2A6ALDH1A1AR
SCHEMBL21687453 0.83 TTR (0.52) TTRALBCYP2A6ALDH1A1CA12
SCHEMBL171718 0.82 TTR (0.52) TTRALBCYP2A6ALDH1A1AR
SCHEMBL23004806 0.79 PARP15 (0.44) TTRALBCYP2A6ALDH1A1AR
SCHEMBL1436903 0.78 CYP2A6 (0.52) CYP2A6ALDH1A1ARCYP11B1CYP11B2
SCHEMBL29814587 0.78 CYP2A6 (0.52) CYP2A6ALDH1A1ARCYP11B1CYP11B2
SCHEMBL16958957 0.77
SCHEMBL10490656 0.77 TRPA1 (0.31)
SCHEMBL10090609 0.77 HDAC8 (0.33) CA12CA2CA9CA14
SCHEMBL20288743 0.77 KDM4E (0.39) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12331056-B2 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2025-06-17 US disclosed
EP-4506035-A2 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2025-02-12 EP disclosed
US-12084447-B2 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2024-09-10 US disclosed
EP-3768668-B1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS INC (US) 2024-08-28 EP disclosed
CN-117263942-A SHP2 phosphatase inhibitors and methods of use thereof 传达治疗有限公司 2023-12-22 CN disclosed
CN-112166110-B SHP2 phosphatase inhibitors and methods of use thereof 传达治疗有限公司 2023-08-11 CN disclosed
US-20230234958-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF D. E. SHAW RESEARCH, LLC 2023-07-27 US disclosed
US-20230234958-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF D. E. SHAW RESEARCH, LLC 2023-07-27 US disclosed
US-20220340576-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2022-10-27 US disclosed
US-20220340576-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2022-10-27 US disclosed
US-7820144-B2 Receptor selective cannabimimetic aminoalkylindoles UNIVERSITY OF CONNECTICUT (US) 2010-10-26 US disclosed
EP-2229377-A1 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS Wyeth LLC (US) 2010-09-22 EP disclosed
WO-2010085581-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-29 WO disclosed
WO-2009076602-A1 5-ALKYL/ALKENYL-3-CYANOPYRIDINES AS KINASE INHIBITORS WYETH (US) 2009-06-18 WO disclosed
US-20070243134-A1 Receptor Selective Cannabimimetic Aminoalkylindoles CONNECTICUT, UNIVERSITY OF 2007-10-18 US disclosed
US-20070243134-A1 Receptor Selective Cannabimimetic Aminoalkylindoles CONNECTICUT, UNIVERSITY OF 2007-10-18 US disclosed
US-7173027-B2 Receptor selective cannabimimetic aminoalkylindoles UNIVERSITY OF CONNECTICUT (US) 2007-02-06 US disclosed
US-7173027-B2 Receptor selective cannabimimetic aminoalkylindoles UNIVERSITY OF CONNECTICUT (US) 2007-02-06 US disclosed
US-20060276433-A1 Hydrazone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 EP 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 (6 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-20220340576-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 TTR 3800/4885ALB 4716/4885CYP2A6 3676/4885
US-20230234958-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 TTR 3800/4885ALB 4716/4885CYP2A6 3676/4885
US-20070243134-A1 Receptor Selective Cannabimimetic Aminoalkylindoles CNR2, CNR1, GPR18 TTR 4693/4885ALB 3811/4885CYP2A6 1505/4885
US-12084447-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPN22, PTPN1 TTR 3800/4885ALB 4716/4885CYP2A6 3676/4885
US-20060276433-A1 Hydrazone derivative APP, PRNP, HTT TTR 12/4885ALB 151/4885CYP2A6 2679/4885
US-12331056-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPN22, PTPN1 TTR 3800/4885ALB 4716/4885CYP2A6 3676/4885

“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.