Sugi Predict

Sugi Predict / Compounds / SCHEMBL347080

SCHEMBL347080

SCHEMBL347080

C[C@@H](N)c1ccc(F)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 2/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.38
▸ JAK2 O60674 7/20 0.36
▸ JAK3 P52333 6/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ HTR2A P28223 2/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ FFAR2 O15552 1/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ NTRK1 P04629 2/20 0.32
▸ MUSK O15146 1/20 0.32
▸ LCK P06239 1/20 0.32
▸ RET P07949 1/20 0.32
▸ FGFR3 P22607 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ FLT3 P36888 1/20 0.32

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
SCHEMBL588810 1.00 APLNR (0.53) APLNRHDAC6JAK2JAK3HRH1
SCHEMBL475519 1.00 APLNR (0.53) APLNRHDAC6JAK2JAK3HRH1
Hydrochloric Acid SCHEMBL3230301 0.98 APLNR (0.51) APLNRHDAC6JAK2JAK3HRH1
Hydrochloric Acid SCHEMBL3230070 0.98 APLNR (0.51) APLNRHDAC6JAK2JAK3HRH1
Hydrochloric Acid SCHEMBL1693822 0.98 APLNR (0.51) APLNRHDAC6JAK2JAK3HRH1
Hydrochloric Acid SCHEMBL454779 0.98 APLNR (0.51) APLNRHDAC6JAK2JAK3HRH1
Hydrochloric Acid SCHEMBL14672602 0.98 APLNR (0.51) APLNRHDAC6JAK2JAK3HRH1
Hydrochloric Acid SCHEMBL22159037 0.83 APLNR (0.40) APLNRHDAC6MAOB
Hydrochloric Acid SCHEMBL22159035 0.83 APLNR (0.40) APLNRHDAC6MAOB
SCHEMBL179299 0.82 APLNR (0.51) APLNRHDAC6JAK2JAK3HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12331068-B2 Compositions and methods for inhibiting CD73 PELOTON THERAPEUTICS, INC. (US) 2025-06-17 — — US disclosed
WO-2025068514-A1 SUBSTITUTED HETEROCYCLIC CARBOXAMINDES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2025-04-03 — — WO disclosed
EP-3810109-B1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING CD73 PELOTON THERAPEUTICS INC (US) 2024-08-07 — — EP disclosed
US-20240067631-A1 PYRAZOLE DERIVATIVES USEFUL AS NAMPT MODULATORS CYTOKINETICS, INC. 2024-02-29 — — US disclosed
US-20210253614-A1 COMPOSITIONS AND METHODS FOR INHIBITING CD73 PELOTON THERAPEUTICS, INC. (US) 2021-08-19 — — US disclosed
EP-2860178-B1 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME (US) 2021-01-13 — — EP disclosed
EP-2860178-B1 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME (US) 2021-01-13 — — EP disclosed
EP-2215049-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2019-06-12 — — EP disclosed
EP-2215049-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2019-06-12 — — EP disclosed
EP-2411001-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2018-01-17 — — EP disclosed
US-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2011-08-25 — — US disclosed
US-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2011-08-25 — — US disclosed
US-20110003822-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2011-01-06 — — US disclosed
US-20110003822-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2011-01-06 — — US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 — — US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 — — US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 — — US disclosed
WO-2010111059-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-09-30 — — WO disclosed
WO-2009058299-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK & CO., INC. (US) 2009-05-07 — — WO disclosed
WO-2009058298-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK & CO., INC. (US) 2009-05-07 — — 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 (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-20210253614-A1 COMPOSITIONS AND METHODS FOR INHIBITING CD73 ENTPD5, NT5E, ENTPD1 APLNR 475/4885HDAC6 2053/4885JAK2 3581/4885
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 APLNR 175/4885HDAC6 2816/4885JAK2 3718/4885
US-12331068-B2 Compositions and methods for inhibiting CD73 ENTPD5, NT5E, ENTPD1 APLNR 475/4885HDAC6 2053/4885JAK2 3581/4885
US-20240067631-A1 PYRAZOLE DERIVATIVES USEFUL AS NAMPT MODULATORS NAMPT, NNT, NAPRT APLNR 2880/4885HDAC6 41/4885JAK2 1170/4885
US-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 APLNR 192/4885HDAC6 3148/4885JAK2 3550/4885
US-20110003822-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 APLNR 175/4885HDAC6 2816/4885JAK2 3718/4885

“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.