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Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL1121071

COc1ccccc1-c1ccncn1.N

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.51
▸ CCNA2 P20248 1/20 0.51
▸ CDK2 P24941 1/20 0.51
▸ CDK9 P50750 1/20 0.51
▸ CCNA1 P78396 1/20 0.51
▸ CDK5 Q00535 1/20 0.51
▸ CDK5R1 Q15078 1/20 0.51
▸ CYP1A2 P05177 9/20 0.51
▸ HSD17B10 Q99714 8/20 0.51
▸ ALDH1A1 P00352 8/20 0.51
▸ CYP2C19 P33261 8/20 0.51
▸ CYP3A4 P08684 7/20 0.51
▸ CYP2D6 P10635 7/20 0.51
▸ CLK4 Q9HAZ1 5/20 0.51
▸ LMNA P02545 5/20 0.51
▸ TSHR P16473 3/20 0.51
▸ TDP1 Q9NUW8 2/20 0.49
▸ CYP19A1 P11511 1/20 0.47
▸ METAP2 P50579 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46

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
SCHEMBL30141974 0.98 CCNT1 (0.52) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL8154563 0.98 CCNT1 (0.52) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL30831604 0.98 CCNT1 (0.52) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL28135263 0.92 CYP1A2 (0.51) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL27534760 0.83 CCNT1 (0.49) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL1445133 0.81 CCNT1 (0.60) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL10601314 0.79 MAPK9 (0.43) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL2039527 0.78 SMN1; SMN2 (0.62) CYP1A2HSD17B10ALDH1A1CYP2C19CYP3A4
SCHEMBL29496935 0.78 SMN1; SMN2 (0.62) CYP1A2HSD17B10ALDH1A1CYP2C19CYP3A4
SCHEMBL1880930 0.76 MAPK14 (0.56) CCNT1CCNA2CDK2CDK9CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9162988-B2 Therapeutic or prophylactic agent for allergic dermatitis TORAY INDUSTRIES, INC. (JP) 2015-10-20 — — US disclosed
US-20130150390-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS TORAY INDUSTRIES, INC. (JP) 2013-06-13 — — US disclosed
EP-1840121-B1 GLYCINE DERIVATIVE AND USE THEREOF TORAY INDUSTRIES (JP) 2012-08-29 — — EP disclosed
EP-2039687-B1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR MULTIPLE SCLEROSIS TORAY INDUSTRIES (JP) 2012-05-02 — — EP disclosed
EP-2042171-B1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS TORAY INDUSTRIES (JP) 2011-05-11 — — EP disclosed
US-7893046-B2 agent comprises as an effective ingredient a glycine derivative or a pharmaceutically acceptable salt thereof, for example [(E)-2-(2,6-dichlorobenzamido)-5-[4-(isopropyl-pyrimidin-2-ylamino)phenyl]pent-4-enoic acid] TORAY INDUSTRIES, INC. (JP) 2011-02-22 — — US disclosed
EP-2033637-B1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR LEUKEMIA TORAY INDUSTRIES (JP) 2011-02-09 — — EP disclosed
US-7879837-B2 administering glycine derivatives such as (E)-2-(2,6-dichlorobenzamido)-5-[4-(isopropyl-pyrimidin-2-ylamino)phenyl]pent-4-enoic acid, used for the treatment of nervous system disorders TORAY INDUSTRIES, INC. (JP) 2011-02-01 — — US disclosed
US-20090275599-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR MULTIPLE SCLEROSIS TORAY INDUSTRIES, INC. (JP) 2009-11-05 — — US disclosed
US-20090253724-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR LEUKEMIA TORAY INDUSTRIES, INC. (JP) 2009-10-08 — — US disclosed
US-7566724-B2 Glycine derivative and use thereof TORAY INDUSTRIES, INC. (JP) 2009-07-28 — — US disclosed
US-20090093508-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS TORAY INDUSTRIES, INC. (JP) 2009-04-09 — — US disclosed
EP-2042171-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS Toray Industries, Inc. (JP) 2009-04-01 — — EP disclosed
EP-2039687-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR MULTIPLE SCLEROSIS Toray Industries, Inc. (JP) 2009-03-25 — — EP disclosed
EP-2033637-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR LEUKEMIA Toray Industries, Inc. (JP) 2009-03-11 — — EP disclosed
US-20080085910-A1 Glycine Derivative and Use Thereof TORAY INDUSTRIES, INC. (JP) 2008-04-10 — — US disclosed
EP-1840121-A1 GLYCINE DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 2007-10-03 — — EP 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-20090093508-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS HRH2, TSLP, ENPEP CCNT1 3554/4885CCNA2 2631/4885CDK2 3378/4885
US-20130150390-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS HRH2, TSLP, ENPEP CCNT1 3554/4885CCNA2 2631/4885CDK2 3378/4885
US-20080085910-A1 Glycine Derivative and Use Thereof GNMT, SI, SLC7A11 CCNT1 696/4885CCNA2 3310/4885CDK2 1321/4885
US-20090275599-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR MULTIPLE SCLEROSIS PMP22, MGMT, ENPEP CCNT1 3683/4885CCNA2 3010/4885CDK2 3944/4885
US-20090253724-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR LEUKEMIA MCL1, ENPEP, SLC7A1 CCNT1 1257/4885CCNA2 1021/4885CDK2 1757/4885

“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.