SCHEMBL670820

SCHEMBL670820

COc1cc(CN2C(N)=NC(N)=NC2(C)C)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.57
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
KMT2A Q03164 1/20 0.46
TAAR1 Q96RJ0 2/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 1/20 0.45
GLA P06280 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 1/20 0.43
CYP2D6 P10635 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
FOS P01100 1/20 0.42
TTR P02766 1/20 0.42
JUN P05412 1/20 0.42
NR3C1 P04150 1/20 0.42
HSD17B1 P14061 1/20 0.42

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
SCHEMBL671352 0.89 DHFR (0.61) DHFRLMNANPSR1TP53CYP2D6
SCHEMBL672059 0.79 DHFR (0.70) DHFRTP53CYP2D6SMN1; SMN2HIF1A
SCHEMBL671141 0.78 DHFR (0.56) DHFRMEN1KMT2ATP53CYP2D6
SCHEMBL670894 0.74 DHFR (0.49) DHFRMAPK1NPSR1CYP2D6
SCHEMBL671214 0.73 DHFR (1.00) DHFRTP53CYP2D6SMN1; SMN2HIF1A
SCHEMBL672319 0.73 DHFR (0.73) DHFRLMNATP53CYP2D6SMN1; SMN2
SCHEMBL672224 0.71 CYP2D6 (0.60) DHFRCYP1A2TSHRTP53CYP2D6
SCHEMBL672323 0.71 DHFR (0.74) DHFRTP53CYP2D6SMN1; SMN2HIF1A
SCHEMBL140416 0.66 TSHR (0.76) MEN1CYP1A2KMT2ATAAR1TSHR
SCHEMBL31077499 0.66 TSHR (0.76) MEN1CYP1A2KMT2ATAAR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11844802-B2 Compounds and compositions for ossification and methods related thereto EMORY UNIVERSITY (US) 2023-12-19 US disclosed
US-20230044670-A1 Compounds and Compositions for Ossification and Methods Related Thereto UNIV EMORY (US) 2023-02-09 US disclosed
US-11471461-B2 Compounds and compositions for ossification and methods related thereto EMORY UNIVERSITY (US) 2022-10-18 US disclosed
US-20210100806-A1 Compounds and Compositions for Ossification and Methods Related Thereto UNIV EMORY (US) 2021-04-08 US disclosed
US-10888565-B2 Compounds and compositions for ossification and methods related thereto EMORY UNIVERSITY (US) 2021-01-12 US disclosed
US-20200121687-A1 Compounds and Compositions for Ossification and Methods Related Thereto UNIV EMORY (US) 2020-04-23 US disclosed
US-20180207166-A1 Compounds and Compositions for Ossification and Methods Related Thereto NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-07-26 US disclosed
US-9808464-B2 Compounds and compositions for ossification and methods related thereto EMORY UNIVERSITY (US) 2017-11-07 US disclosed
EP-3187197-A1 COMPOUNDS AND COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO Emory University (US) 2017-07-05 EP disclosed
EP-2605804-B1 COMPOUNDS AND COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO UNIV EMORY (US) 2017-03-15 EP disclosed
US-20170035771-A1 Compounds and Compositions for Ossification and Methods Related Thereto NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-02-09 US disclosed
EP-2605804-A2 COMPOUNDS AND COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO Emory University (US) 2013-06-26 EP disclosed
WO-2012024489-A2 COMPOUNDS AND COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2012-02-23 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 (8 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-10888565-B2 Compounds and compositions for ossification and methods related thereto BMP2, SOST, BMP4 DHFR 3180/4885MEN1 1322/4885CYP1A2 3253/4885
US-20180207166-A1 Compounds and Compositions for Ossification and Methods Related Thereto BMP2, SOST, BMP4 DHFR 3180/4885MEN1 1322/4885CYP1A2 3253/4885
US-11471461-B2 Compounds and compositions for ossification and methods related thereto BMP2, SOST, BMP4 DHFR 3180/4885MEN1 1322/4885CYP1A2 3253/4885
US-20230044670-A1 Compounds and Compositions for Ossification and Methods Related Thereto BMP2, SOST, BMP4 DHFR 3180/4885MEN1 1322/4885CYP1A2 3253/4885
US-20210100806-A1 Compounds and Compositions for Ossification and Methods Related Thereto BMP2, SOST, BMP4 DHFR 3180/4885MEN1 1322/4885CYP1A2 3253/4885
US-20170035771-A1 Compounds and Compositions for Ossification and Methods Related Thereto BMP2, SOST, BMP4 DHFR 3180/4885MEN1 1322/4885CYP1A2 3253/4885
US-20200121687-A1 Compounds and Compositions for Ossification and Methods Related Thereto BMP2, SOST, BMP4 DHFR 3180/4885MEN1 1322/4885CYP1A2 3253/4885
US-11844802-B2 Compounds and compositions for ossification and methods related thereto BMP2, SOST, BMP4 DHFR 3180/4885MEN1 1322/4885CYP1A2 3253/4885

“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.