SCHEMBL17038862

SCHEMBL17038862

O=C(Nc1cn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
HIF1A Q16665 6/20 0.51
EPAS1 Q99814 6/20 0.51
AAK1 Q2M2I8 1/20 0.48
POLB P06746 3/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 1/20 0.47
NTRK1 P04629 1/20 0.45
CSF1R P07333 2/20 0.44
BRAF P15056 1/20 0.44
GAA P10253 1/20 0.44
TRPA1 O75762 1/20 0.44
HTR6 P50406 1/20 0.44
HDAC1 Q13547 1/20 0.43

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
SCHEMBL17038748 0.90 POLB (0.47) ALDH1A1MAPTSMN1; SMN2HIF1AEPAS1
SCHEMBL17039011 0.90 POLB (0.55) ALDH1A1MAPTSMN1; SMN2MAPK1HIF1A
SCHEMBL17195592 0.87 SMN1; SMN2 (0.56) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL17038861 0.86 SMN1; SMN2 (0.48) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL17039014 0.85 POLB (0.52) MAPTHIF1AEPAS1POLBRXFP1
SCHEMBL17039017 0.85 MEN1 (0.52) ALDH1A1MAPTSMN1; SMN2HIF1AEPAS1
SCHEMBL17038740 0.84 GRM4 (0.52) ALDH1A1MAPTSMN1; SMN2GAAHTR6
SCHEMBL17039026 0.84 HDAC6 (0.55) MAPTHIF1AEPAS1POLBHTR6
SCHEMBL17039007 0.83 RXFP1 (0.49) ALDH1A1MAPTLMNAHIF1AEPAS1
SCHEMBL17039018 0.83 MAPT (0.48) ALDH1A1MAPTSMN1; SMN2LMNAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858929-B2 Compounds and methods for inhibiting fascin CORNELL UNIVERSITY (US) 2024-01-02 US disclosed
US-20230310378-A1 CO-THERAPIES INCLUDING A METASTASIS INHIBITOR NOVITA PHARMACEUTICALS, INC. (US) 2023-10-05 US disclosed
US-11701342-B2 Co-therapies including a metastasis inhibitor CORNELL UNIVERSITY (US) 2023-07-18 US disclosed
US-20210340138-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN NOVITA PHARMACEUTICALS, INC. 2021-11-04 US disclosed
EP-3107902-B1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN CORNELL UNIV CORNELL CENTER FOR TECHNOLOGY ENTERPRISE & COMMERCIALIZATION CCTEC (US) 2021-04-07 EP disclosed
US-10941141-B2 Compounds and methods for inhibiting fascin NOVITA PHARMACEUTICALS, INC. (US) 2021-03-09 US disclosed
US-20200352911-A1 CO-THERAPIES INCLUDING A METASTASIS INHIBITOR CORNELL UNIVERSITY 2020-11-12 US disclosed
US-20200039976-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN CORNELL UNIVERSITY 2020-02-06 US disclosed
WO-2019104067-A1 CO-THERAPIES INCLUDING A METASTASIS INHIBITOR CORNELL UNIVERSITY (US) 2019-05-31 WO disclosed
US-10227345-B2 Compounds and methods for inhibiting fascin CORNELL UNIVERSITY (US) 2019-03-12 US disclosed
US-20180215757-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN CORNELL UNIVERSITY 2018-08-02 US disclosed
US-9850243-B2 Compounds and methods for inhibiting fascin NOVITA PHARMACEUTICALS, INC. (US) 2017-12-26 US disclosed
US-20170158692-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN CORNELL UNIVERSITY 2017-06-08 US disclosed
US-9573946-B2 Compounds and methods for inhibiting fascin NOVITA PHARMACEUTICALS, INC. (US) 2017-02-21 US disclosed
WO-2015127125-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN CORNELL UNIVERSITY (US) 2015-08-27 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 (10 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-10227345-B2 Compounds and methods for inhibiting fascin FSCN1, MTPN, MYOF ALDH1A1 3976/4885MAPT 352/4885SMN1; SMN2 35/4885
US-20210340138-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN FSCN1, MTPN, MYOF ALDH1A1 3976/4885MAPT 352/4885SMN1; SMN2 35/4885
US-11858929-B2 Compounds and methods for inhibiting fascin FSCN1, MTPN, MYOF ALDH1A1 3976/4885MAPT 352/4885SMN1; SMN2 35/4885
US-20230310378-A1 CO-THERAPIES INCLUDING A METASTASIS INHIBITOR MIF, CXCL10, CCL2 ALDH1A1 1799/4885MAPT 1951/4885SMN1; SMN2 3159/4885
US-20180215757-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN FSCN1, MTPN, MYOF ALDH1A1 3976/4885MAPT 352/4885SMN1; SMN2 35/4885
US-20200352911-A1 CO-THERAPIES INCLUDING A METASTASIS INHIBITOR MIF, CXCL10, CCL2 ALDH1A1 1799/4885MAPT 1951/4885SMN1; SMN2 3159/4885
US-20170158692-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN FSCN1, MTPN, MYOF ALDH1A1 3976/4885MAPT 352/4885SMN1; SMN2 35/4885
US-11701342-B2 Co-therapies including a metastasis inhibitor MIF, CXCL10, CCL2 ALDH1A1 1799/4885MAPT 1951/4885SMN1; SMN2 3159/4885
US-10941141-B2 Compounds and methods for inhibiting fascin FSCN1, MTPN, MYOF ALDH1A1 3976/4885MAPT 352/4885SMN1; SMN2 35/4885
US-20200039976-A1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN FSCN1, MTPN, MYOF ALDH1A1 3976/4885MAPT 352/4885SMN1; SMN2 35/4885

“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.