SCHEMBL10171941

SCHEMBL10171941

CCc1nc(CC)c2[nH]ccc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.36
ADORA1 P30542 5/20 0.36
REN P00797 2/20 0.36
KDM4E B2RXH2 1/20 0.34
DYRK1A Q13627 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
KDR P35968 2/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31
TUBA1C Q9BQE3 1/20 0.31
TUBB6 Q9BUF5 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
SCHEMBL16478438 0.81 ADORA2A (0.36) ADORA2AADORA1RENKDM4EDYRK1A
SCHEMBL2748015 0.80 DYRK1A (0.46) ADORA2AADORA1RENKDM4EDYRK1A
SCHEMBL12396387 0.77 ADORA2A (0.34) ADORA2AADORA1
SCHEMBL13660430 0.77 REN (0.34) REN
SCHEMBL24996725 0.77 AAK1 (0.36) RENAAK1CD38
SCHEMBL2760379 0.72 DYRK1A (0.53) RENDYRK1A
SCHEMBL12113604 0.70 JAK2 (0.44) ADORA2AADORA1RENKDM4EDYRK1A
SCHEMBL14461781 0.67 CDK2 (0.46) ADORA2AADORA3
SCHEMBL19362470 0.67 ADORA2A (0.39) ADORA2AADORA1KDM4EADORA3ADORA2B
SCHEMBL10171939 0.65 POLB (0.54) ADORA1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015937-A1 Kinase Inhibitors And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-8053434-B2 Kinase inhibitors and their uses RIGEL PHARMACEUTICALS, INC. (US) 2011-11-08 US disclosed
US-20110207736-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH Gatekeeper Pharmaceuticals, Inc. 2011-08-25 US disclosed
US-20100069369-A1 Kinase Inhibitors And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2010-03-18 US disclosed
US-20070142402-A1 Kinase Inhibitors And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2007-06-21 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 (4 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-20120015937-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN ADORA2A 3008/4885ADORA1 4194/4885REN 3070/4885
US-20110207736-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH EGFR, ERBB2, BRCA1 ADORA2A 2554/4885ADORA1 3516/4885REN 1079/4885
US-20100069369-A1 Kinase Inhibitors And Their Uses BTK, SYK, JAK2 ADORA2A 2362/4885ADORA1 3082/4885REN 990/4885
US-20070142402-A1 Kinase Inhibitors And Their Uses BTK, SYK, LYN ADORA2A 3008/4885ADORA1 4194/4885REN 3070/4885

“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.