SCHEMBL21238680

SCHEMBL21238680

CCOC(O)c1cnn2c(N(Cc3ccccc3)Cc3ccccc3)cc(Cl)nc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 5/20 0.33
▸ CDK2 P24941 5/20 0.33
▸ CDK5 Q00535 3/20 0.33
▸ CDK9 P50750 3/20 0.33
▸ CRHR1 P34998 3/20 0.33
▸ CCNT1 O60563 2/20 0.33
▸ CCNE1 P24864 2/20 0.33
▸ CCNH P51946 2/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ INSRR P14616 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ MAPK3 P27361 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CSNK1A1 P48729 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ CDK6 Q00534 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ MAPK15 Q8TD08 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
SCHEMBL20678782 0.78 KDM4E (0.54) CDK2SMN1; SMN2CCNA2NPC1RAB9A
SCHEMBL25118155 0.75 KDM4E (0.47) CDK2MAPK1SMN1; SMN2CCNA2NPC1
SCHEMBL22103759 0.74 CDK2 (0.40) CDK7CDK2CDK5CDK9CCNT1
SCHEMBL18298197 0.74 CDK7 (0.41) CDK7CDK2CDK5CDK9CCNT1
SCHEMBL20678910 0.73 ALDH1A1 (0.44) CDK2MAPK1CCNA2KDM4EALDH1A1
SCHEMBL20689029 0.73 CSNK2A1 (0.48) CDK2MAPK1KMT2AKDM4EALDH1A1
SCHEMBL20688889 0.69 KDM4E (0.53) CDK2SMN1; SMN2CCNA2NPC1RAB9A
SCHEMBL21246100 0.68 SMN1; SMN2 (0.47) CDK2MAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL18654699 0.68 FLT3 (0.34) CDK7CDK9CCNT1
SCHEMBL20696803 0.68 SMN1; SMN2 (0.43) CDK2SMN1; SMN2CCNA2NPC1RAB9A

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-10570145-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-25 — — US disclosed
US-20190241577-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-20190241577-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CDK7 286/4885CDK2 342/4885CDK5 1131/4885
US-10570145-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 CDK7 286/4885CDK2 342/4885CDK5 1131/4885

“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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