SCHEMBL5829804

SCHEMBL5829804

O=C1Cc2c(cccc2-c2cccnc2)N1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.55
CYP11B2 P19099 9/20 0.55
CYP1A2 P05177 2/20 0.55
PIP4K2A P48426 1/20 0.54
PIP4K2B P78356 1/20 0.54
CYP19A1 P11511 4/20 0.51
CCNB2 O95067 2/20 0.49
CDK1 P06493 2/20 0.49
CCNB1 P14635 2/20 0.49
CDK5 Q00535 2/20 0.49
CDK5R1 Q15078 2/20 0.49
CCNB3 Q8WWL7 2/20 0.49
CCNT1 O60563 1/20 0.49
CCNT2 O60583 1/20 0.49
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
CDK9 P50750 1/20 0.49
CCNA1 P78396 1/20 0.49
TDP2 O95551 2/20 0.49
JAK2 O60674 1/20 0.48

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
SCHEMBL5830094 0.85 PIP4K2A (0.56) CYP11B1CYP11B2CYP1A2PIP4K2APIP4K2B
SCHEMBL29899546 0.83 PIP4K2A (0.51) PIP4K2APIP4K2BCCNB2CDK1CCNB1
SCHEMBL152990 0.83 PIP4K2A (0.51) PIP4K2APIP4K2BCCNB2CDK1CCNB1
SCHEMBL5843496 0.81 JAK2 (0.51) PIP4K2APIP4K2BCCNB2CDK1CCNB1
SCHEMBL19145392 0.80 ABL1 (0.54) PIP4K2APIP4K2BCCNB2CDK1CCNB1
SCHEMBL3936784 0.79 PIP4K2A (0.47) CYP11B1CYP11B2CYP1A2PIP4K2APIP4K2B
Acetic Acid SCHEMBL5831403 0.79 PIP4K2A (0.48) PIP4K2APIP4K2BCCNB2CDK1CCNB1
SCHEMBL5830722 0.79 PIP4K2A (0.56) PIP4K2APIP4K2BCCNB2CDK1CCNB1
SCHEMBL16090379 0.78 BRD4 (0.52) PIP4K2APIP4K2BCCNB2CDK1CCNB1
SCHEMBL7003835 0.77 BRD4 (0.58) PIP4K2APIP4K2BCCNB2CDK1CCNB1

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-7053086-B2 4-heteroaryl-3-heteroarylidenyl-2-indolinones and their use as protein kinase inhibitors SUGEN, INC. (US) 2006-05-30 US disclosed
US-20040097497-A1 4-heteroaryl-3-heteroarylidenyl-2-indolinones and their use as protein kinase inhibitors SUGEN, INC. 2004-05-20 US disclosed
US-6635640-B2 4-heteroaryl-3-heteroarylidenyl-2-indolinones and their use as protein kinase inhibitors SUGEN, INC. 2003-10-21 US disclosed
US-20020187978-A1 4-Heteroaryl-3-heteroarylidenyl-2-indolinones and their use as protein kinase inhibitors SUGEN, INC. 2002-12-12 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-20020187978-A1 4-Heteroaryl-3-heteroarylidenyl-2-indolinones and their use as protein kinase inhibitors CDK2, CDK20, CDK3 CYP11B1 753/4885CYP11B2 892/4885CYP1A2 1079/4885
US-20040097497-A1 4-heteroaryl-3-heteroarylidenyl-2-indolinones and their use as protein kinase inhibitors CDK2, CDK20, CDK3 CYP11B1 753/4885CYP11B2 892/4885CYP1A2 1079/4885

“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.