SCHEMBL21246058

SCHEMBL21246058

COCC1(CNC(=O)c2cnn3c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 1/20 0.39
▸ CYP1A1 P04798 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TYK2 P29597 10/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ ACACA Q13085 1/20 0.33
▸ PTGES O14684 1/20 0.33
▸ CSNK1D P48730 1/20 0.33
▸ SLC6A9 P48067 1/20 0.33

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
SCHEMBL20688949 0.92 JAK1 (0.45) JAK1CYP1A1HPGDTYK2ACACB
SCHEMBL20697290 0.84 ALDH1A1 (0.41) CYP1A1HPGDTYK2ALDH1A1JAK2
SCHEMBL21246014 0.82 TP53 (0.46) CYP1A1HPGDTYK2ALDH1A1JAK2
SCHEMBL20689569 0.81 LMNA (0.41) CYP1A1HPGDTYK2ALDH1A1KDM4E
SCHEMBL20689606 0.81 HPGD (0.36) CYP1A1HPGDTYK2ALDH1A1KDM4E
SCHEMBL20689010 0.81 TYK2 (0.44) CYP1A1HPGDTYK2JAK2NTRK1
SCHEMBL20688967 0.80 KDM4E (0.41) HPGDALDH1A1KDM4EPOLB
SCHEMBL21246013 0.79 LMNA (0.41) CYP1A1HPGDALDH1A1KDM4EPOLB
SCHEMBL20688901 0.79 ALDH1A1 (0.45) HPGDTYK2ALDH1A1KDM4EPOLB
SCHEMBL20678811 0.79 KDM4E (0.41) HPGDALDH1A1KDM4EACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10562906-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-18 — — 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 (2 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-10562906-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 JAK1 3/4885CYP1A1 4514/4885HPGD 4476/4885
US-20190241576-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 JAK1 3/4885CYP1A1 4514/4885HPGD 4476/4885

“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.

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