SCHEMBL21246033

SCHEMBL21246033

COC(=O)c1cccn([C@@H]2C[C@H]2F)c1=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TYK2 P29597 11/20 0.41
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
BRD4 O60885 1/20 0.38
CFTR P13569 1/20 0.38

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
SCHEMBL20697196 1.00 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2TYK2LMNA
SCHEMBL21948000 1.00 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2TYK2LMNA
SCHEMBL20697368 1.00 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2TYK2LMNA
SCHEMBL21258629 1.00 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2TYK2LMNA
SCHEMBL21948446 0.84 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2TYK2LMNA
SCHEMBL20689411 0.84 TYK2 (0.43) ALDH1A1KDM4ESMN1; SMN2TYK2LMNA
SCHEMBL21258587 0.84 TYK2 (0.43) ALDH1A1KDM4ESMN1; SMN2TYK2LMNA
SCHEMBL20689433 0.84 TYK2 (0.45) ALDH1A1KDM4ETYK2BRD4
SCHEMBL21238673 0.84 TYK2 (0.45) ALDH1A1KDM4ETYK2BRD4
SCHEMBL24584927 0.82 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-02-23 US disclosed
US-20200131201-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-04-30 US disclosed
US-10577373-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-03-03 US disclosed
US-10570145-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-25 US disclosed
US-10562906-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-18 US disclosed
US-20190256519-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-22 US disclosed
US-20190241576-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 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 (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-20190256519-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ALDH1A1 4827/4885KDM4E 391/4885SMN1; SMN2 1145/4885
US-10562906-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 ALDH1A1 4827/4885KDM4E 391/4885SMN1; SMN2 1145/4885
US-20190241576-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ALDH1A1 4827/4885KDM4E 391/4885SMN1; SMN2 1145/4885
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ALDH1A1 4827/4885KDM4E 391/4885SMN1; SMN2 1145/4885
US-10570145-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 ALDH1A1 4827/4885KDM4E 391/4885SMN1; SMN2 1145/4885
US-10577373-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 ALDH1A1 4827/4885KDM4E 391/4885SMN1; SMN2 1145/4885
US-20200131201-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ALDH1A1 4827/4885KDM4E 391/4885SMN1; SMN2 1145/4885

“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.