SCHEMBL9956863

SCHEMBL9956863

Cc1c(C(=O)O)c(-c2ccccc2)nn1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.67
MEN1 O00255 1/20 0.67
POLB P06746 2/20 0.55
CSF1R P07333 1/20 0.54
FGFR1 P11362 1/20 0.54
FLT1 P17948 1/20 0.54
KDR P35968 1/20 0.54
CSNK1A1 P48729 1/20 0.54
CDK8 P49336 1/20 0.54
GSK3A P49840 1/20 0.54
GSK3B P49841 1/20 0.54
CDK5 Q00535 1/20 0.54
PRKCQ Q04759 1/20 0.54
LRRK2 Q5S007 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
DYRK1B Q9Y463 1/20 0.54
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 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
SCHEMBL21156724 0.87 KMT2A (0.51) KMT2AMEN1POLBCSF1RFGFR1
SCHEMBL23142706 0.85 CYP1A2 (0.51) KMT2AMEN1POLBKDM4ECYP1A2
SCHEMBL16060814 0.85 MEN1 (0.50) KMT2AMEN1POLBCSF1RFGFR1
SCHEMBL12264906 0.84 TP53 (0.64) KMT2AMEN1POLBCSF1RFGFR1
SCHEMBL18148761 0.84 MEN1 (0.49) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL16877265 0.84 MEN1 (0.49) KMT2AMEN1POLBCSF1RFGFR1
SCHEMBL4334023 0.83 L3MBTL1 (0.48) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL19209469 0.82 ADORA3 (0.57) KMT2AMEN1ALDH1A1KDM4ETP53
SCHEMBL17142715 0.81 CYP1A2 (0.64) KMT2AMEN1POLBCSF1RFGFR1
SCHEMBL12997973 0.81 KDR (0.60) KMT2AMEN1POLBCSF1RFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655323-B1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LTD (IE) 2017-12-20 EP disclosed
US-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2017-08-03 US disclosed
US-9708286-B2 Ingenol-3-acylates III and ingenol-3-carbamates LEO LABORATORIES LIMITED (IE) 2017-07-18 US disclosed
CN-104529827-B Ingenol-3-acylate III and ingenol-3-carbamate 利奥实验室有限公司 2016-08-24 CN disclosed
CN-103402977-B Ingenol-3-acylate III and ingenol-3-carbamate LEO PHARMA A/S (IE) 2016-01-20 CN disclosed
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2015-10-15 US disclosed
US-9102687-B2 Ingenol-3-acylates III and ingenol-3-carbamates LEO LABORATORIES LIMITED (IE) 2015-08-11 US disclosed
CN-104529827-A Ingenol-3-acylates III and ingenol-3-carbamates LEO PHARMA AS 2015-04-22 CN disclosed
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2014-10-09 US disclosed
US-8716485-B2 Pyrazole synthesis by coupling of carboxylic acid derivatives and enamines WESTFÄLISHE WILHELMS-UNIVERSITÄT MÜNSTER (DE) 2014-05-06 US disclosed
CN-103402977-A Ingenol-3-acylate III and Ingenol-3-carbamate LEO PHARMA AS 2013-11-20 CN disclosed
EP-2655323-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2013-10-30 EP disclosed
US-20130012715-A1 PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES WESTFAELISCHE WILHELMS UNIVERSITAET MUENSTER (DE) 2013-01-10 US disclosed
WO-2012083953-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO PHARMA A/S (DK) 2012-06-28 WO 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-20130012715-A1 PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES PC, ENO1, PDK2 KMT2A 1571/4885MEN1 2319/4885POLB 1289/4885
US-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG KMT2A 3459/4885MEN1 4175/4885POLB 3773/4885
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG KMT2A 3459/4885MEN1 4175/4885POLB 3773/4885
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG KMT2A 3459/4885MEN1 4175/4885POLB 3773/4885

“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.