Sugi Predict

Sugi Predict / Compounds / SCHEMBL660218

SCHEMBL660218

SCHEMBL660218

CN1CCN(c2ccc(Nc3ncc4ccc(=O)n(Cc5c(F)cccc5F)c4n3)cc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 11/20 0.73
▸ CCND1 P24385 11/20 0.73
▸ CCND2 P30279 11/20 0.73
▸ CCND3 P30281 11/20 0.73
▸ JAK3 P52333 9/20 0.64
▸ JAK2 O60674 2/20 0.64
▸ EGFR P00533 1/20 0.64
▸ JAK1 P23458 1/20 0.64
▸ TYK2 P29597 1/20 0.64
▸ BTK Q06187 1/20 0.64
▸ CCNE2 O96020 3/20 0.62
▸ CCNA2 P20248 3/20 0.62
▸ CCNE1 P24864 3/20 0.62
▸ CDK2 P24941 3/20 0.62
▸ CCNA1 P78396 3/20 0.62
▸ CCNB2 O95067 2/20 0.62
▸ CDK1 P06493 2/20 0.62
▸ FGFR1 P11362 2/20 0.62
▸ CCNB1 P14635 2/20 0.62
▸ FGFR2 P21802 2/20 0.62

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
SCHEMBL10192709 0.95 CDK4 (0.68) CDK4CCND1CCND2CCND3JAK3
SCHEMBL13555620 0.94 CDK4 (0.70) CDK4CCND1CCND2CCND3JAK3
SCHEMBL10192692 0.94 CDK4 (0.67) CDK4CCND1CCND2CCND3JAK3
SCHEMBL660413 0.94 CDK4 (0.67) CDK4CCND1CCND2CCND3JAK3
SCHEMBL10192700 0.93 CDK4 (0.65) CDK4CCND1CCND2CCND3JAK3
SCHEMBL10192733 0.93 CDK4 (0.65) CDK4CCND1CCND2CCND3JAK3
SCHEMBL10192698 0.93 CDK4 (0.65) CDK4CCND1CCND2CCND3JAK3
SCHEMBL660855 0.93 CDK4 (0.65) CDK4CCND1CCND2CCND3JAK3
SCHEMBL10192740 0.92 CDK4 (0.64) CDK4CCND1CCND2CCND3JAK3
SCHEMBL13555618 0.92 CDK4 (0.64) CDK4CCND1CCND2CCND3JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS HOLDINGS INC (US) 2014-12-11 — — US disclosed
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS HOLDINGS INC (US) 2014-12-11 — — US disclosed
US-8674095-B2 Compounds for treating neuropsychiatric conditions AFRAXIS HOLDINGS, INC. (US) 2014-03-18 — — US disclosed
US-8674095-B2 Compounds for treating neuropsychiatric conditions AFRAXIS HOLDINGS, INC. (US) 2014-03-18 — — US disclosed
US-8674095-B2 Compounds for treating neuropsychiatric conditions AFRAXIS HOLDINGS, INC. (US) 2014-03-18 — — US disclosed
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS AFRAXIS, INC. (US) 2013-08-29 — — US disclosed
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS AFRAXIS, INC. (US) 2013-08-29 — — US disclosed
US-20130096115-A1 METHODS FOR TREATING AUTISM AFRAXIS, INC. (US) 2013-04-18 — — US disclosed
US-20130096115-A1 METHODS FOR TREATING AUTISM AFRAXIS, INC. (US) 2013-04-18 — — US disclosed
US-20130059824-A1 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT AFRAXIS, INC. (US) 2013-03-07 — — US disclosed
US-20130059824-A1 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT AFRAXIS, INC. (US) 2013-03-07 — — US disclosed
US-20120270844-A1 METHODS FOR TREATING ALZHEIMER'S DISEASE AFRAXIS, INC. (US) 2012-10-25 — — US disclosed
US-20120270844-A1 METHODS FOR TREATING ALZHEIMER'S DISEASE AFRAXIS, INC. (US) 2012-10-25 — — US disclosed
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS, INC. (US) 2012-07-19 — — US disclosed
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS, INC. (US) 2012-07-19 — — US disclosed
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS INC. (US) 2012-02-23 — — US disclosed
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS INC. (US) 2012-02-23 — — US disclosed
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS INC. (US) 2012-02-23 — — US disclosed
WO-2010071846-A2 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS, INC. (US) 2010-06-24 — — WO disclosed
WO-2010071846-A2 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS, INC. (US) 2010-06-24 — — 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 (7 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-20120270844-A1 METHODS FOR TREATING ALZHEIMER'S DISEASE PSEN2, MAPT, PSEN1 CDK4 2592/4885CCND1 4850/4885CCND2 4797/4885
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA GRIN2A, GRIN2C, GRIN3A CDK4 2824/4885CCND1 4822/4885CCND2 4718/4885
US-20130096115-A1 METHODS FOR TREATING AUTISM PAK2, PAK3, PAK4 CDK4 2735/4885CCND1 4872/4885CCND2 4839/4885
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS PAK2, PAK5, PAK6 CDK4 1028/4885CCND1 4465/4885CCND2 4323/4885
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA PAK2, PAK3, PAK4 CDK4 2596/4885CCND1 4856/4885CCND2 4795/4885
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS SMN1; SMN2, PYGB, PMP22 CDK4 2822/4885CCND1 4884/4885CCND2 4879/4885
US-20130059824-A1 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT CHAT, PSEN2, PAK2 CDK4 2088/4885CCND1 4589/4885CCND2 4566/4885

“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.