SCHEMBL21707308

SCHEMBL21707308

N[C@H]1CC[C@H](c2nnc(C(F)F)o2)CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
SMYD3 Q9H7B4 1/20 0.31

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
Hydrochloric Acid SCHEMBL21680678 0.98 KDM1A (0.33) KDM1ACA1CA2SMYD3
Hydrochloric Acid SCHEMBL21680681 0.98 KDM1A (0.33) KDM1ACA1CA2SMYD3
SCHEMBL407920 0.82 KDM1A (0.33) KDM1ACA1CA2SMYD3
SCHEMBL21733297 0.81 CYP2C19 (0.44) CA1CA2
Hydrochloric Acid SCHEMBL441324 0.81 KDM1A (0.33) KDM1ACA1CA2SMYD3
Hydrochloric Acid SCHEMBL441325 0.81 KDM1A (0.33) KDM1ACA1CA2SMYD3
SCHEMBL21733954 0.80 CA1 (0.40) KDM1ACA1CA2SMYD3
SCHEMBL13275499 0.79 SMYD3 (0.33) KDM1ACA1CA2SMYD3
SCHEMBL21733288 0.77
SCHEMBL21733286 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702414-B2 Thiadiazole IRAK4 inhibitors GILEAD SCIENCES, INC. (US) 2023-07-18 US disclosed
US-11702414-B2 Thiadiazole IRAK4 inhibitors GILEAD SCIENCES, INC. (US) 2023-07-18 US disclosed
US-11572362-B2 Pyrrolo[1,2-b]pyridazine derivatives GILEAD SCIENCES, INC. (US) 2023-02-07 US disclosed
US-20220402910-A1 THIADIAZOLE IRAK4 INHIBITORS GILEAD SCIENCES, INC. 2022-12-22 US disclosed
US-11053250-B2 Pyrrolo[1,2-b]pyridazine derivatives GILEAD SCIENCES, INC. (US) 2021-07-06 US disclosed
US-11046686-B2 Thiadiazole IRAK4 compounds GILEAD SCIENCES, INC. (US) 2021-06-29 US disclosed
US-20200071333-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES GILEAD SCIENCES, INC. 2020-03-05 US disclosed
WO-2020036979-A1 PYRROLO[1,2-B]PYRIDAZINE DERIVATIVES AS IRAK4 INHIBITORS GILEAD SCIENCES, INC. (US) 2020-02-20 WO disclosed
WO-2020036986-A1 THIADIAZOLE IRAK4 INHIBITORS GILEAD SCIENCES, INC. (US) 2020-02-20 WO disclosed
US-20200048261-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES GILEAD SCIENCES, INC. (US) 2020-02-13 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 (7 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-11046686-B2 Thiadiazole IRAK4 compounds IRAK4, IRAK3, IRAK2 KDM1A 795/4885CA1 4863/4885CA2 4831/4885
US-20200048261-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES CYP11B2, CYP11B1, DHPS KDM1A 2860/4885CA1 4016/4885CA2 4452/4885
US-11572362-B2 Pyrrolo[1,2-b]pyridazine derivatives CYP11B2, CYP11B1, DHPS KDM1A 2860/4885CA1 4016/4885CA2 4452/4885
US-11053250-B2 Pyrrolo[1,2-b]pyridazine derivatives CYP11B2, CYP11B1, DHPS KDM1A 2860/4885CA1 4016/4885CA2 4452/4885
US-11702414-B2 Thiadiazole IRAK4 inhibitors IRAK4, IRAK3, IRAK1 KDM1A 509/4885CA1 4810/4885CA2 4731/4885
US-20200071333-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES CYP11B2, CYP11B1, DHPS KDM1A 2860/4885CA1 4016/4885CA2 4452/4885
US-20220402910-A1 THIADIAZOLE IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 KDM1A 509/4885CA1 4810/4885CA2 4731/4885

“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.