SCHEMBL19796166

SCHEMBL19796166

CC1(C)OB(c2ccnn2PI)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.37
LIPG Q9Y5X9 12/20 0.37
FFAR1 O14842 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CA12 O43570 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
F11 P03951 1/20 0.31
P2RX7 Q99572 1/20 0.30

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
SCHEMBL21018964 0.86 LPL (0.33) LPLLIPG
SCHEMBL332693 0.76 LPL (0.36) LPLLIPGFFAR1CA1CA2
SCHEMBL22049117 0.75 IRAK4 (0.30)
SCHEMBL24141578 0.74 LPL (0.38) LPLLIPGFFAR1CA1CA2
SCHEMBL20919403 0.71 LPL (0.33) LPLLIPGFFAR1P2RX7
SCHEMBL19207350 0.71 FFAR1 (0.39) LPLLIPGFFAR1P2RX7
SCHEMBL1530333 0.71 LPL (0.39) LPLLIPGFFAR1F11P2RX7
SCHEMBL1485368 0.71 ALDH1A1 (0.35) LPLLIPGFFAR1P2RX7
SCHEMBL21023551 0.70 FFAR1 (0.35) LPLLIPGFFAR1
SCHEMBL24373133 0.70 LPL (0.35) LPLLIPGFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030866-B2 2-pyrazole anilines and related analogs for inhibiting YAP/TAZ-TEAD SPRINGWORKS THERAPEUTICS, INC. (US) 2024-07-09 US disclosed
WO-2023122780-A9 2-PYRAZOLE ANILINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD THE KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
US-20230295166-A1 ATR INHIBITORS AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-09-21 US disclosed
US-20230278982-A1 2-Pyrazole Anilines and Related Analogs for Inhibiting YAP/TAZ-TEAD KU LEUVEN R&D (BE) 2023-09-07 US disclosed
US-20230234958-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF D. E. SHAW RESEARCH, LLC 2023-07-27 US disclosed
US-20230192734-A1 TRICYCLIC COMPOUNDS AS EGFR INHIBITORS QILU PHARMACEUTICAL CO LTD (CN) 2023-06-22 US disclosed
US-20220340576-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2022-10-27 US disclosed
US-20220315586-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF SCHRODINGER, INC. 2022-10-06 US disclosed
US-20220213103-A1 9H-PYRROLO-DIPYRIDINE DERIVATIVES UCB Biopharma SRL (BE) 2022-07-07 US disclosed
US-11312716-B2 9H-pyrrolo-dipyridine derivatives UCB Biopharma SRL 2022-04-26 US disclosed
US-10934302-B1 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-20210047326-A1 9H-PYRROLO-DIPYRIDINE DERIVATIVES UCB BIOPHARMA SRL (SOCIETE A RESPONSABILITE LIMITEE) (BE) 2021-02-18 US disclosed
US-20180022748-A1 9H-PYRROLO-DIPYRIDINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2018-01-25 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 (12 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-20220213103-A1 9H-PYRROLO-DIPYRIDINE DERIVATIVES MAPT, PSEN1, PRNP LPL 4101/4885LIPG 4343/4885FFAR1 4243/4885
US-20220340576-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 LPL 742/4885LIPG 375/4885FFAR1 2629/4885
US-20230234958-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 LPL 742/4885LIPG 375/4885FFAR1 2629/4885
US-20210047326-A1 9H-PYRROLO-DIPYRIDINE DERIVATIVES MAPT, PSEN1, PRNP LPL 4101/4885LIPG 4343/4885FFAR1 4243/4885
US-20230192734-A1 TRICYCLIC COMPOUNDS AS EGFR INHIBITORS EGFR, ERBB2, ERBB3 LPL 4291/4885LIPG 1888/4885FFAR1 2900/4885
US-20230295166-A1 ATR INHIBITORS AND USES THEREOF ATR, CHEK1, CHEK2 LPL 3676/4885LIPG 2639/4885FFAR1 4571/4885
US-20230278982-A1 2-Pyrazole Anilines and Related Analogs for Inhibiting YAP/TAZ-TEAD YAP1, TEAD3, TEAD2 LPL 3336/4885LIPG 2634/4885FFAR1 4187/4885
US-11312716-B2 9H-pyrrolo-dipyridine derivatives MAPT, PSEN1, PRNP LPL 4101/4885LIPG 4343/4885FFAR1 4243/4885
US-20180022748-A1 9H-PYRROLO-DIPYRIDINE DERIVATIVES MAPT, PSEN1, PRNP LPL 4101/4885LIPG 4343/4885FFAR1 4243/4885
US-10934302-B1 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPRJ, PTPRC LPL 611/4885LIPG 339/4885FFAR1 3459/4885
US-12030866-B2 2-pyrazole anilines and related analogs for inhibiting YAP/TAZ-TEAD YAP1, TEAD3, TEAD2 LPL 3336/4885LIPG 2634/4885FFAR1 4187/4885
US-20220315586-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPN22, PTPN1 LPL 742/4885LIPG 375/4885FFAR1 2629/4885

“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.