SCHEMBL9910996

SCHEMBL9910996

CC(C)(C)n1c(=O)c2cccn2c2ccncc21

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GABRA5 P31644 10/20 0.38
▸ GABRA1 P14867 7/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ RAD51 Q06609 2/20 0.34
▸ SLC22A12 Q96S37 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ RXFP1 Q9HBX9 2/20 0.33
▸ KDM5A P29375 1/20 0.33
▸ LMNA P02545 1/20 0.32

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
SCHEMBL9910997 0.94 GABRA5 (0.35) GABRA5GABRA1MEN1KMT2ARAD51
SCHEMBL9910994 0.82 MEN1 (0.46) MEN1KMT2APOLBRXFP1LMNA
SCHEMBL15043469 0.80 GABRA5 (0.55) GABRA5GABRA1MEN1KMT2ARAD51
SCHEMBL15043474 0.77 GABRA5 (0.55) GABRA5GABRA1MEN1KMT2ARAD51
SCHEMBL9912179 0.77 GABRA5 (0.58) GABRA5GABRA1MEN1KMT2APOLB
SCHEMBL9911000 0.75 POLB (0.45) MEN1KMT2APOLBRXFP1
SCHEMBL9910998 0.75 POLB (0.51) MEN1KMT2APOLBRXFP1
SCHEMBL9911002 0.73 RXFP1 (0.53) MEN1KMT2ARXFP1LMNA
SCHEMBL9912169 0.73 GABRA5 (0.58) GABRA5GABRA1MEN1KMT2APOLB
SCHEMBL9910992 0.72 GSK3B (0.33) GABRA5MEN1KMT2APOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10414771-B2 Compounds useful for inhibiting metastasis from cancer and methods using same DREXEL UNIVERSITY (US) 2019-09-17 — — US disclosed
US-20180099972-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same UNIV DREXEL (US) 2018-04-12 — — US disclosed
US-20180099972-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same UNIV DREXEL (US) 2018-04-12 — — US disclosed
US-9856260-B2 Compounds useful for inhibiting metastasis from cancer and methods using same DREXEL UNIVERSITY (US) 2018-01-02 — — US disclosed
US-20160264587-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same UNIV DREXEL (US) 2016-09-15 — — US disclosed
US-9375474-B2 Compounds useful for inhibiting metastasis from cancer and methods using same DREXEL UNIVERSITY (US) 2016-06-28 — — US disclosed
US-20130156761-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same Alliance Discovery, Inc. (US) 2013-06-20 — — US disclosed
US-8435993-B2 Methods of inhibiting metastasis from cancer PHILADELPHIA HEALTH AND EDUCATION CORPORATION (US) 2013-05-07 — — US disclosed
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer Alliance Discovery, Inc. 2012-06-07 — — 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 (5 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-20180099972-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 GABRA5 3047/4885GABRA1 3338/4885MEN1 592/4885
US-10414771-B2 Compounds useful for inhibiting metastasis from cancer and methods using same CX3CR1, CCL2, CCR5 GABRA5 3047/4885GABRA1 3338/4885MEN1 592/4885
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer CX3CR1, CXCR3, CCR5 GABRA5 2949/4885GABRA1 3222/4885MEN1 735/4885
US-20130156761-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 GABRA5 3047/4885GABRA1 3338/4885MEN1 592/4885
US-20160264587-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 GABRA5 3047/4885GABRA1 3338/4885MEN1 592/4885

“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.

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