SCHEMBL12724876

SCHEMBL12724876

Cc1ccc2c(nc(NC(C)(C)C)n2C)c1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 9/20 0.33
▸ PIM2 Q9P1W9 9/20 0.33
▸ PDE3B Q13370 2/20 0.33
▸ PDE3A Q14432 2/20 0.33
▸ PIM3 Q86V86 3/20 0.32
▸ CYP2C19 P33261 3/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ MAPT P10636 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ CYP1A2 P05177 2/20 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
SCHEMBL14301805 0.74 CYP1A2 (0.44) PDE3BPDE3ACYP2C19KDM4EMAPT
SCHEMBL28566639 0.72 CLK4 (0.42) PDE3BPDE3AKDM4EMAPTALDH1A1
SCHEMBL14958066 0.72 PDE3B (0.35) PDE3BPDE3AKDM4EMAPTALDH1A1
SCHEMBL14957158 0.70 PDE3B (0.34) PDE3BPDE3AKDM4EMAPTALDH1A1
SCHEMBL12724891 0.70 KDM4E (0.56) PDE3BPDE3AKDM4EMAPTALDH1A1
SCHEMBL12724877 0.69 KDM4E (0.50) KDM4EMAPTALDH1A1POLBRAB9A
SCHEMBL12135849 0.67 SMN1; SMN2 (0.58) KDM4EMAPTALDH1A1POLBRAB9A
SCHEMBL14263360 0.66 KDM4E (0.43) KDM4EMAPTALDH1A1POLBRAB9A
SCHEMBL28603619 0.66 CA2 (0.38) PDE3BPDE3AKDM4EMAPTALDH1A1
SCHEMBL28411172 0.66 RAB9A (0.37) PDE3BPDE3AKDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932257-B2 Substituted pyrazolo[4,3-d]pyrimidines as aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2011-04-26 — — US disclosed
US-20100179123-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2010-07-15 — — US disclosed
US-7601725-B2 Thienopyrimidines useful as Aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2009-10-13 — — US disclosed
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. 2007-02-01 — — 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-20100179123-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS AURKA, AURKB, AURKC PIM1 478/4885PIM2 561/4885PDE3B 3749/4885
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors AURKA, AURKB, AURKC PIM1 363/4885PIM2 428/4885PDE3B 2878/4885

“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.

Send feedback